Organooxygen compounds
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Ethyl propionylacetate, 98%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
| PubChem CID | 78656 |
|---|---|
| CAS | 4949-44-4 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009317 |
| SMILES | CCC(=O)CC(=O)OCC |
| Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
| IUPAC Name | ethyl 3-oxopentanoate |
| InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
3-Hepten-2-one, 95%
CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 SMILES: CCC\C=C\C(C)=O
| PubChem CID | 5364578 |
|---|---|
| CAS | 1119-44-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00015564 |
| SMILES | CCC\C=C\C(C)=O |
| Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
| InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
Diethyl 1,3-acetonedicarboxylate, 95%
CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC
| PubChem CID | 66045 |
|---|---|
| CAS | 105-50-0 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00009200 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| Synonym | diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester |
| IUPAC Name | diethyl 3-oxopentanedioate |
| InChI Key | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5 |
tert-Butyl ethyl malonate, 95%
CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 96345 |
|---|---|
| CAS | 32864-38-3 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009193 |
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate |
| IUPAC Name | 3-O-tert-butyl 1-O-ethyl propanedioate |
| InChI Key | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Ethyl hydrogen malonate, 96%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.115 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
L-Ascorbic acid 6-palmitate, 99%
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| PubChem CID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
| IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
Butyraldehyde diethylacetal, 97%
CAS: 3658-95-5 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00038316 InChI Key: UVHXZFGCCJLFMX-UHFFFAOYSA-N Synonym: butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard PubChem CID: 77225 IUPAC Name: 1,1-diethoxybutane SMILES: CCCC(OCC)OCC
| PubChem CID | 77225 |
|---|---|
| CAS | 3658-95-5 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00038316 |
| SMILES | CCCC(OCC)OCC |
| Synonym | butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard |
| IUPAC Name | 1,1-diethoxybutane |
| InChI Key | UVHXZFGCCJLFMX-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
5-Bromo-2-methoxypyridine, 98%
CAS: 13472-85-0 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD01318952 InChI Key: XADICJHFELMBGX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 PubChem CID: 2734895 IUPAC Name: 5-bromo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)Br
| PubChem CID | 2734895 |
|---|---|
| CAS | 13472-85-0 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD01318952 |
| SMILES | COC1=NC=C(C=C1)Br |
| Synonym | 2-methoxy-5-bromopyridine,pyridine, 5-bromo-2-methoxy,3-bromo-6-methoxypyridine,5-bromo-2-methoxy-pyridine,2-methyloxy-5-bromopyridine,5-bromo-2-methoxy pyridine,2-methoxy-5-bromo-pyridine,2-methyloxy-5-bromo pyridine,zlchem 355,pubchem2408 |
| IUPAC Name | 5-bromo-2-methoxypyridine |
| InChI Key | XADICJHFELMBGX-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
Aminoacetaldehyde diethyl acetal, 98%
CAS: 645-36-3 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.19 MDL Number: MFCD00008136 InChI Key: HJKLEAOXCZIMPI-UHFFFAOYSA-N Synonym: 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal PubChem CID: 69524 IUPAC Name: 2,2-diethoxyethanamine SMILES: CCOC(CN)OCC
| PubChem CID | 69524 |
|---|---|
| CAS | 645-36-3 |
| Molecular Weight (g/mol) | 133.19 |
| MDL Number | MFCD00008136 |
| SMILES | CCOC(CN)OCC |
| Synonym | 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal |
| IUPAC Name | 2,2-diethoxyethanamine |
| InChI Key | HJKLEAOXCZIMPI-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO2 |
Trimethyl orthoformate, 99+%, anhydrous, AcroSeal™
CAS: 149-73-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 InChI Key: PYOKUURKVVELLB-UHFFFAOYSA-N Synonym: trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester PubChem CID: 9005 IUPAC Name: trimethoxymethane SMILES: COC(OC)OC
| PubChem CID | 9005 |
|---|---|
| CAS | 149-73-5 |
| Molecular Weight (g/mol) | 106.12 |
| SMILES | COC(OC)OC |
| Synonym | trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester |
| IUPAC Name | trimethoxymethane |
| InChI Key | PYOKUURKVVELLB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
3-Chloro-6-methoxypyridazine, 97%
CAS: 1722-10-7 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00006467 InChI Key: XBJLKXOOHLLTPG-UHFFFAOYSA-N PubChem CID: 74403 IUPAC Name: 3-chloro-6-methoxypyridazine SMILES: COC1=CC=C(Cl)N=N1
| PubChem CID | 74403 |
|---|---|
| CAS | 1722-10-7 |
| Molecular Weight (g/mol) | 144.56 |
| MDL Number | MFCD00006467 |
| SMILES | COC1=CC=C(Cl)N=N1 |
| IUPAC Name | 3-chloro-6-methoxypyridazine |
| InChI Key | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
tributyl[6-(tetrahydropyran-4-yloxy)pyrid-2-yl]stannane, Thermo Scientific™
CAS: 1007847-70-2 Molecular Formula: C22H39NO2Sn Molecular Weight (g/mol): 468.269 InChI Key: TYKSDTUCXMRYNR-UHFFFAOYSA-N Synonym: 2-oxan-4-yloxy-6-tributylstannyl pyridine,tributyl 6-tetrahydropyran-4-yloxy pyrid-2-yl stannane,2-oxan-4-yl oxy-6-tributylstannyl pyridine PubChem CID: 45594295 IUPAC Name: tributyl-[6-(oxan-4-yloxy)pyridin-2-yl]stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=N1)OC2CCOCC2
| PubChem CID | 45594295 |
|---|---|
| CAS | 1007847-70-2 |
| Molecular Weight (g/mol) | 468.269 |
| SMILES | CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=N1)OC2CCOCC2 |
| Synonym | 2-oxan-4-yloxy-6-tributylstannyl pyridine,tributyl 6-tetrahydropyran-4-yloxy pyrid-2-yl stannane,2-oxan-4-yl oxy-6-tributylstannyl pyridine |
| IUPAC Name | tributyl-[6-(oxan-4-yloxy)pyridin-2-yl]stannane |
| InChI Key | TYKSDTUCXMRYNR-UHFFFAOYSA-N |
| Molecular Formula | C22H39NO2Sn |
3-Methoxypyridine, 97%
CAS: 7295-76-3 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00673022 InChI Key: UMJSCPRVCHMLSP-UHFFFAOYSA-N Synonym: pyridine, 3-methoxy,beta-methoxypyridine,3-methyoxypyridine,unii-xv2a2d8595,.beta.-methoxypyridine,3-methoxy pyridine,3-methoxypiridine,3-methoxy-pyridine,pubchem15370,acmc-209oov PubChem CID: 23719 IUPAC Name: 3-methoxypyridine SMILES: COC1=CN=CC=C1
| PubChem CID | 23719 |
|---|---|
| CAS | 7295-76-3 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00673022 |
| SMILES | COC1=CN=CC=C1 |
| Synonym | pyridine, 3-methoxy,beta-methoxypyridine,3-methyoxypyridine,unii-xv2a2d8595,.beta.-methoxypyridine,3-methoxy pyridine,3-methoxypiridine,3-methoxy-pyridine,pubchem15370,acmc-209oov |
| IUPAC Name | 3-methoxypyridine |
| InChI Key | UMJSCPRVCHMLSP-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
5-Methoxyindole, 99%
CAS: 1006-94-6 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005674 InChI Key: DWAQDRSOVMLGRQ-UHFFFAOYSA-N Synonym: 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- PubChem CID: 13872 IUPAC Name: 5-methoxy-1H-indole SMILES: COC1=CC2=C(C=C1)NC=C2
| PubChem CID | 13872 |
|---|---|
| CAS | 1006-94-6 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005674 |
| SMILES | COC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methoxyindole,1h-indole, 5-methoxy,femedol,5-methoxy indole,indol-5-yl methyl ether,indole, 5-methoxy,methoxy-5 indole,unii-dqm3as43pq,methoxy-5 indole french,methoxyindole 5- |
| IUPAC Name | 5-methoxy-1H-indole |
| InChI Key | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
8-Methoxypsoralen, 99%
CAS: 298-81-7 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 MDL Number: MFCD00005009 InChI Key: QXKHYNVANLEOEG-UHFFFAOYSA-N Synonym: methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin PubChem CID: 4114 ChEBI: CHEBI:18358 IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2OC=CC2=CC2=C1OC(=O)C=C2
| PubChem CID | 4114 |
|---|---|
| CAS | 298-81-7 |
| Molecular Weight (g/mol) | 216.19 |
| ChEBI | CHEBI:18358 |
| MDL Number | MFCD00005009 |
| SMILES | COC1=C2OC=CC2=CC2=C1OC(=O)C=C2 |
| Synonym | methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin |
| IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
| InChI Key | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |