Organooxygen compounds
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Diisopentyl ether, mixture of isomers, 96%
CAS: 544-01-4 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.285 MDL Number: MFCD00008947 InChI Key: AQZGPSLYZOOYQP-UHFFFAOYSA-N Synonym: diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane PubChem CID: 10989 IUPAC Name: 3-methyl-1-(3-methylbutoxy)butane SMILES: CC(C)CCOCCC(C)C
| PubChem CID | 10989 |
|---|---|
| CAS | 544-01-4 |
| Molecular Weight (g/mol) | 158.285 |
| MDL Number | MFCD00008947 |
| SMILES | CC(C)CCOCCC(C)C |
| Synonym | diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane |
| IUPAC Name | 3-methyl-1-(3-methylbutoxy)butane |
| InChI Key | AQZGPSLYZOOYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
3-Acetylpyridine, 98%
CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1
| PubChem CID | 9589 |
|---|---|
| CAS | 350-03-8 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006396 |
| SMILES | CC(=O)C1=CN=CC=C1 |
| Synonym | 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one |
| IUPAC Name | 1-pyridin-3-ylethanone |
| InChI Key | WEGYGNROSJDEIW-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Furaldehyde, ACS, 98% min
CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
Methyl malonyl chloride, 97%
CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl
| PubChem CID | 123460 |
|---|---|
| CAS | 37517-81-0 |
| Molecular Weight (g/mol) | 136.531 |
| MDL Number | MFCD00013657 |
| SMILES | COC(=O)CC(=O)Cl |
| IUPAC Name | methyl 3-chloro-3-oxopropanoate |
| InChI Key | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO3 |
1,8-Dihydroxyanthraquinone, 95%
CAS: 117-10-2 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001211 InChI Key: QBPFLULOKWLNNW-UHFFFAOYSA-N Synonym: danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan PubChem CID: 2950 ChEBI: CHEBI:3682 IUPAC Name: 1,8-dihydroxyanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
| PubChem CID | 2950 |
|---|---|
| CAS | 117-10-2 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:3682 |
| MDL Number | MFCD00001211 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| Synonym | danthron,1,8-dihydroxyanthraquinone,chrysazin,dantron,antrapurol,laxanthreen,diaquone,istizin,laxanorm,altan |
| IUPAC Name | 1,8-dihydroxyanthracene-9,10-dione |
| InChI Key | QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
2-Methyl-1,3-dioxolane, 98%
CAS: 497-26-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00003210 InChI Key: HTWIZMNMTWYQRN-UHFFFAOYSA-N Synonym: 1,3-dioxolane, 2-methyl,2-methyldioxole,2-methyldioxolane,methyldioxolane,methyl dioxolane,2-methyl-1,3-dioxacyclopentane,dioxolane, methyl,unii-94w0r6v90a,acetaldehyde ethylene acetal,methyl-1,3-dioxolane PubChem CID: 10342 IUPAC Name: 2-methyl-1,3-dioxolane SMILES: CC1OCCO1
| PubChem CID | 10342 |
|---|---|
| CAS | 497-26-7 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00003210 |
| SMILES | CC1OCCO1 |
| Synonym | 1,3-dioxolane, 2-methyl,2-methyldioxole,2-methyldioxolane,methyldioxolane,methyl dioxolane,2-methyl-1,3-dioxacyclopentane,dioxolane, methyl,unii-94w0r6v90a,acetaldehyde ethylene acetal,methyl-1,3-dioxolane |
| IUPAC Name | 2-methyl-1,3-dioxolane |
| InChI Key | HTWIZMNMTWYQRN-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
3-methoxythiophene-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 35134-07-7 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.17 MDL Number: MFCD01571098 InChI Key: KGJDTMQUUPIAEF-UHFFFAOYSA-N Synonym: 3-methoxy-2-thiophenecarboxaldehyde,3-methoxythiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 3-methoxy,3-methoxy-2-thenaldehyde,2-formyl-3-methoxythiophene,3-methoxy-2-thiophenealdehyde,3-methoxy-2-thiophenecarbaldehyde,3-methoxy-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,3-methoxy,3-methoxy-2-thiophenecarbaldehyde # PubChem CID: 588315 IUPAC Name: 3-methoxythiophene-2-carbaldehyde SMILES: COC1=C(SC=C1)C=O
| PubChem CID | 588315 |
|---|---|
| CAS | 35134-07-7 |
| Molecular Weight (g/mol) | 142.17 |
| MDL Number | MFCD01571098 |
| SMILES | COC1=C(SC=C1)C=O |
| Synonym | 3-methoxy-2-thiophenecarboxaldehyde,3-methoxythiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 3-methoxy,3-methoxy-2-thenaldehyde,2-formyl-3-methoxythiophene,3-methoxy-2-thiophenealdehyde,3-methoxy-2-thiophenecarbaldehyde,3-methoxy-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,3-methoxy,3-methoxy-2-thiophenecarbaldehyde # |
| IUPAC Name | 3-methoxythiophene-2-carbaldehyde |
| InChI Key | KGJDTMQUUPIAEF-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
5-(Bromoacetyl)-2-oxoindoline, 97%, Thermo Scientific™
CAS: 105316-98-1 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 MDL Number: MFCD08690294 InChI Key: WHLZVVMOQHTDAX-UHFFFAOYSA-N Synonym: 5-bromoacetyl-2-oxoindoline,5-2-bromoacetyl indolin-2-one,5-bromoacetyl-1,3-dihydro-2h-indol-2-one,5-2-bromoacetyl-1,3-dihydroindol-2-one,2h-indol-2-one,5-2-bromoacetyl-1,3-dihydro,5-bromoacetyloxindole,acmc-20a59p,5-alpha-bromoacetyl oxindole,5-2-bromoacetyl-2-indolinone,2h-indol-2-one, 5-bromoacetyl-1,3-dihydro PubChem CID: 22099309 IUPAC Name: 5-(2-bromoacetyl)-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)C(=O)CBr)NC1=O
| PubChem CID | 22099309 |
|---|---|
| CAS | 105316-98-1 |
| Molecular Weight (g/mol) | 254.083 |
| MDL Number | MFCD08690294 |
| SMILES | C1C2=C(C=CC(=C2)C(=O)CBr)NC1=O |
| Synonym | 5-bromoacetyl-2-oxoindoline,5-2-bromoacetyl indolin-2-one,5-bromoacetyl-1,3-dihydro-2h-indol-2-one,5-2-bromoacetyl-1,3-dihydroindol-2-one,2h-indol-2-one,5-2-bromoacetyl-1,3-dihydro,5-bromoacetyloxindole,acmc-20a59p,5-alpha-bromoacetyl oxindole,5-2-bromoacetyl-2-indolinone,2h-indol-2-one, 5-bromoacetyl-1,3-dihydro |
| IUPAC Name | 5-(2-bromoacetyl)-1,3-dihydroindol-2-one |
| InChI Key | WHLZVVMOQHTDAX-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO2 |
(5-Methyl-2-phenyl-3-furyl)methanol, 95%, Thermo Scientific™
CAS: 183210-33-5 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD08435905 InChI Key: VZFFMWAZPODJRX-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-3-furyl methanol,5-methyl-2-phenylfuran-3-yl methanol,3-furanmethanol,5-methyl-2-phenyl,5-methyl-2-phenyl-3-furyl methan-1-ol PubChem CID: 15269738 IUPAC Name: (5-methyl-2-phenylfuran-3-yl)methanol SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)CO
| PubChem CID | 15269738 |
|---|---|
| CAS | 183210-33-5 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD08435905 |
| SMILES | CC1=CC(=C(O1)C2=CC=CC=C2)CO |
| Synonym | 5-methyl-2-phenyl-3-furyl methanol,5-methyl-2-phenylfuran-3-yl methanol,3-furanmethanol,5-methyl-2-phenyl,5-methyl-2-phenyl-3-furyl methan-1-ol |
| IUPAC Name | (5-methyl-2-phenylfuran-3-yl)methanol |
| InChI Key | VZFFMWAZPODJRX-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
5-Bromoisatin, 90+%
CAS: 87-48-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00149345 InChI Key: MBVCESWADCIXJN-UHFFFAOYSA-N Synonym: 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate PubChem CID: 6889 IUPAC Name: 5-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2
| PubChem CID | 6889 |
|---|---|
| CAS | 87-48-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00149345 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
| Synonym | 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate |
| IUPAC Name | 5-bromo-1H-indole-2,3-dione |
| InChI Key | MBVCESWADCIXJN-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
Di-n-propyl ether, 99%
CAS: 111-43-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009376 InChI Key: POLCUAVZOMRGSN-UHFFFAOYSA-N Synonym: dipropyl ether,propyl ether,n-propyl ether,di-n-propyl ether,propane, 1,1'-oxybis,dipropyl oxide,4-oxaheptane,ether, di-n-propyl,1,1'-oxybispropane,unii-42q250hs4g PubChem CID: 8114 IUPAC Name: 1-propoxypropane SMILES: CCCOCCC
| PubChem CID | 8114 |
|---|---|
| CAS | 111-43-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00009376 |
| SMILES | CCCOCCC |
| Synonym | dipropyl ether,propyl ether,n-propyl ether,di-n-propyl ether,propane, 1,1'-oxybis,dipropyl oxide,4-oxaheptane,ether, di-n-propyl,1,1'-oxybispropane,unii-42q250hs4g |
| IUPAC Name | 1-propoxypropane |
| InChI Key | POLCUAVZOMRGSN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
2',6'-Dihydroxyacetophenone, 98+%
CAS: 699-83-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002270 InChI Key: YPTJKHVBDCRKNF-UHFFFAOYSA-N Synonym: 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 PubChem CID: 69687 IUPAC Name: 1-(2,6-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1O)O
| PubChem CID | 69687 |
|---|---|
| CAS | 699-83-2 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002270 |
| SMILES | CC(=O)C1=C(C=CC=C1O)O |
| Synonym | 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 |
| IUPAC Name | 1-(2,6-dihydroxyphenyl)ethanone |
| InChI Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Mesityl oxide, 90+%, remainder 4-methyl-4-penten-2-one
CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00008900 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C
| PubChem CID | 8858 |
|---|---|
| CAS | 141-79-7 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00008900 |
| SMILES | CC(=CC(=O)C)C |
| Synonym | mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone |
| IUPAC Name | 4-methylpent-3-en-2-one |
| InChI Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
1,4-Cyclohexanedimethanol, cis + trans, 99%
CAS: 105-08-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00001512,MFCD00066360 InChI Key: YIMQCDZDWXUDCA-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis PubChem CID: 7735 IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCC(CO)CC1
| PubChem CID | 7735 |
|---|---|
| CAS | 105-08-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00001512,MFCD00066360 |
| SMILES | OCC1CCC(CO)CC1 |
| Synonym | 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis |
| IUPAC Name | [4-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |