Organooxygen compounds
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Dibenzo-18-crown 6-Ether 99.0+%, TCI America™
CAS: 14187-32-7 Molecular Formula: C20H24O6 Molecular Weight (g/mol): 360.406 MDL Number: MFCD00005098 InChI Key: YSSSPARMOAYJTE-UHFFFAOYSA-N Synonym: dibenzo-18-crown-6,dibenzo-18-crown-6-ether,crown 18,6,7,9,10,17,18,20,21-octahydrodibenzo b,k 1,4,7,10,13,16 hexaoxacyclooctadecine,dibenzo-18-crown,unii-0a7w45jcs9,2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane,dibenzo-18-crown-6 ether,dibenzo-18-crown 6-ether,2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene PubChem CID: 26541 ChEBI: CHEBI:358732 SMILES: C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
| PubChem CID | 26541 |
|---|---|
| CAS | 14187-32-7 |
| Molecular Weight (g/mol) | 360.406 |
| ChEBI | CHEBI:358732 |
| MDL Number | MFCD00005098 |
| SMILES | C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1 |
| Synonym | dibenzo-18-crown-6,dibenzo-18-crown-6-ether,crown 18,6,7,9,10,17,18,20,21-octahydrodibenzo b,k 1,4,7,10,13,16 hexaoxacyclooctadecine,dibenzo-18-crown,unii-0a7w45jcs9,2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane,dibenzo-18-crown-6 ether,dibenzo-18-crown 6-ether,2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene |
| InChI Key | YSSSPARMOAYJTE-UHFFFAOYSA-N |
| Molecular Formula | C20H24O6 |
3',4'-Dimethoxyacetophenone 98.0+%, TCI America™
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
| PubChem CID | 14328 |
|---|---|
| CAS | 1131-62-0 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:86576 |
| MDL Number | MFCD00008737 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)OC |
| Synonym | 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)ethanone |
| InChI Key | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Ethyl 3,3-Diethoxyacrylate 95.0+%, TCI America™
CAS: 32002-24-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00012220 InChI Key: POJGRKZMYVJCST-UHFFFAOYSA-N Synonym: 3,3-Diethoxyacrylic Acid Ethyl Ester PubChem CID: 169388 IUPAC Name: ethyl 3,3-diethoxyprop-2-enoate SMILES: CCOC(=CC(=O)OCC)OCC
| PubChem CID | 169388 |
|---|---|
| CAS | 32002-24-7 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00012220 |
| SMILES | CCOC(=CC(=O)OCC)OCC |
| Synonym | 3,3-Diethoxyacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl 3,3-diethoxyprop-2-enoate |
| InChI Key | POJGRKZMYVJCST-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
3-(2,4-Difluorobenzoyl)propionic Acid 98.0+%, TCI America™
CAS: 110931-77-6 Molecular Formula: C10H8F2O3 Molecular Weight (g/mol): 214.17 MDL Number: MFCD00143016 InChI Key: OKYUHFSCTFNDFB-UHFFFAOYSA-N Synonym: 4-(2,4-Difluorophenyl)-4-oxobutyric Acid PubChem CID: 2774081 IUPAC Name: 4-(2,4-difluorophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=C(F)C=C(F)C=C1
| PubChem CID | 2774081 |
|---|---|
| CAS | 110931-77-6 |
| Molecular Weight (g/mol) | 214.17 |
| MDL Number | MFCD00143016 |
| SMILES | OC(=O)CCC(=O)C1=C(F)C=C(F)C=C1 |
| Synonym | 4-(2,4-Difluorophenyl)-4-oxobutyric Acid |
| IUPAC Name | 4-(2,4-difluorophenyl)-4-oxobutanoic acid |
| InChI Key | OKYUHFSCTFNDFB-UHFFFAOYSA-N |
| Molecular Formula | C10H8F2O3 |
3,5-Dichlorosalicylaldehyde 98.0+%, TCI America™
CAS: 90-60-8 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00003320 InChI Key: FABVMBDCVAJXMB-UHFFFAOYSA-N Synonym: 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro PubChem CID: 66660 IUPAC Name: 3,5-dichloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Cl)O)C=O)Cl
| PubChem CID | 66660 |
|---|---|
| CAS | 90-60-8 |
| Molecular Weight (g/mol) | 191.007 |
| MDL Number | MFCD00003320 |
| SMILES | C1=C(C=C(C(=C1Cl)O)C=O)Cl |
| Synonym | 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro |
| IUPAC Name | 3,5-dichloro-2-hydroxybenzaldehyde |
| InChI Key | FABVMBDCVAJXMB-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine 98.0+%, TCI America™
CAS: 113583-35-0 Molecular Formula: C7H10N2O4S Molecular Weight (g/mol): 218.23 MDL Number: MFCD00672151 InChI Key: ITDVJJVNAASTRS-UHFFFAOYSA-N Synonym: 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 PubChem CID: 838363 IUPAC Name: 2-methanesulfonyl-4,6-dimethoxypyrimidine SMILES: COC1=CC(OC)=NC(=N1)S(C)(=O)=O
| PubChem CID | 838363 |
|---|---|
| CAS | 113583-35-0 |
| Molecular Weight (g/mol) | 218.23 |
| MDL Number | MFCD00672151 |
| SMILES | COC1=CC(OC)=NC(=N1)S(C)(=O)=O |
| Synonym | 4,6-dimethoxy-2-methylsulfonyl pyrimidine,2-methanesulfonyl-4,6-dimethoxypyrimidine,2-methylsulfonyl-4,6-dimethoxypyrimidine,2-methylsulfony-4,6-dimethoxypyridine,4,6-dimethoxy-2-methylsulfonyl-pyrimidine,2-methanesulfonyl-4,6-dimethoxy-pyrimidine,4,6-dimethoxy-2-methylsulphonyl pyrimidine,pyrimidine, 4,6-dimethoxy-2-methylsulfonyl,pubchem23351,maybridge1_008822 |
| IUPAC Name | 2-methanesulfonyl-4,6-dimethoxypyrimidine |
| InChI Key | ITDVJJVNAASTRS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O4S |
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl 98.0+%, TCI America™
CAS: 179866-74-1 Molecular Formula: C24H20Br2O4 Molecular Weight (g/mol): 532.23 MDL Number: MFCD03788936 InChI Key: UPLLZDVWXACTEG-UHFFFAOYSA-N PubChem CID: 10839989 IUPAC Name: 6,6'-dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene SMILES: COCOC1=CC=C2C=C(Br)C=CC2=C1C1=C2C=CC(Br)=CC2=CC=C1OCOC
| PubChem CID | 10839989 |
|---|---|
| CAS | 179866-74-1 |
| Molecular Weight (g/mol) | 532.23 |
| MDL Number | MFCD03788936 |
| SMILES | COCOC1=CC=C2C=C(Br)C=CC2=C1C1=C2C=CC(Br)=CC2=CC=C1OCOC |
| IUPAC Name | 6,6'-dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene |
| InChI Key | UPLLZDVWXACTEG-UHFFFAOYSA-N |
| Molecular Formula | C24H20Br2O4 |
4,4'-Dichlorobenzil 98.0+%, TCI America™
CAS: 3457-46-3 Molecular Formula: C14H8Cl2O2 Molecular Weight (g/mol): 279.116 MDL Number: MFCD00018685 InChI Key: XMAWUPHYEABFDR-UHFFFAOYSA-N PubChem CID: 18946 IUPAC Name: 1,2-bis(4-chlorophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
| PubChem CID | 18946 |
|---|---|
| CAS | 3457-46-3 |
| Molecular Weight (g/mol) | 279.116 |
| MDL Number | MFCD00018685 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl |
| IUPAC Name | 1,2-bis(4-chlorophenyl)ethane-1,2-dione |
| InChI Key | XMAWUPHYEABFDR-UHFFFAOYSA-N |
| Molecular Formula | C14H8Cl2O2 |
trans-4-(tert-Butoxycarbonylamino)cyclohexanol 98.0+%, TCI America™
CAS: 111300-06-2 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD03844613,MFCD03844614,MFCD06658349 InChI Key: DQARDWKWPIRJEH-UHFFFAOYSA-N Synonym: trans-4-boc-aminocyclohexanol,tert-butyl 4-hydroxycyclohexyl carbamate,boc-trans-4-aminocyclohexanol,4-boc-amino cyclohexanol,tert-butyl trans-4-hydroxycyclohexyl carbamate,tert-butyl n-4-hydroxycyclohexyl carbamate,tert-butyl cis-4-hydroxycyclohexylcarbamate,trans-n-boc-4-amino-cyclohexanol,4-n-boc-amino-cyclohexanol,tert-butyl cis-4-hydroxycyclohexyl carbamate PubChem CID: 1514287 IUPAC Name: tert-butyl N-(4-hydroxycyclohexyl)carbamate SMILES: CC(C)(C)OC(=O)NC1CCC(O)CC1
| PubChem CID | 1514287 |
|---|---|
| CAS | 111300-06-2 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD03844613,MFCD03844614,MFCD06658349 |
| SMILES | CC(C)(C)OC(=O)NC1CCC(O)CC1 |
| Synonym | trans-4-boc-aminocyclohexanol,tert-butyl 4-hydroxycyclohexyl carbamate,boc-trans-4-aminocyclohexanol,4-boc-amino cyclohexanol,tert-butyl trans-4-hydroxycyclohexyl carbamate,tert-butyl n-4-hydroxycyclohexyl carbamate,tert-butyl cis-4-hydroxycyclohexylcarbamate,trans-n-boc-4-amino-cyclohexanol,4-n-boc-amino-cyclohexanol,tert-butyl cis-4-hydroxycyclohexyl carbamate |
| IUPAC Name | tert-butyl N-(4-hydroxycyclohexyl)carbamate |
| InChI Key | DQARDWKWPIRJEH-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
2-(4-Methoxycyclohexyl)ethylamine (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 1052223-70-7 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.257 MDL Number: MFCD07772981 InChI Key: CDTAOSZEZXQTRJ-UHFFFAOYSA-N Synonym: 1-(2-Aminoethyl)-4-methoxycyclohexane PubChem CID: 53434199 IUPAC Name: 2-(4-methoxycyclohexyl)ethanamine SMILES: COC1CCC(CC1)CCN
| PubChem CID | 53434199 |
|---|---|
| CAS | 1052223-70-7 |
| Molecular Weight (g/mol) | 157.257 |
| MDL Number | MFCD07772981 |
| SMILES | COC1CCC(CC1)CCN |
| Synonym | 1-(2-Aminoethyl)-4-methoxycyclohexane |
| IUPAC Name | 2-(4-methoxycyclohexyl)ethanamine |
| InChI Key | CDTAOSZEZXQTRJ-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
5-Methoxy-2-methylindole 99.0+%, TCI America™
CAS: 1076-74-0 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD00005620 InChI Key: VSWGLJOQFUMFOQ-UHFFFAOYSA-N Synonym: 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole PubChem CID: 70642 IUPAC Name: 5-methoxy-2-methyl-1H-indole SMILES: COC1=CC=C2NC(C)=CC2=C1
| PubChem CID | 70642 |
|---|---|
| CAS | 1076-74-0 |
| Molecular Weight (g/mol) | 161.20 |
| MDL Number | MFCD00005620 |
| SMILES | COC1=CC=C2NC(C)=CC2=C1 |
| Synonym | 5-methoxy-2-methylindole,2-methyl-5-methoxyindole,1h-indole, 5-methoxy-2-methyl,indole, 5-methoxy-2-methyl,pubchem7236,acmc-1buiu,maybridge1_002343,5-methoxy-2 methylindole,2-methyl-5-methoxylindole,2-methyl-5-methoxy indole |
| IUPAC Name | 5-methoxy-2-methyl-1H-indole |
| InChI Key | VSWGLJOQFUMFOQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
2-Ethoxy-3-methylpyrazine 98.0+%, TCI America™
CAS: 32737-14-7 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD00038025 InChI Key: MMKWCKGYULOKET-UHFFFAOYSA-N PubChem CID: 122941 IUPAC Name: 2-ethoxy-3-methylpyrazine SMILES: CCOC1=NC=CN=C1C
| PubChem CID | 122941 |
|---|---|
| CAS | 32737-14-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00038025 |
| SMILES | CCOC1=NC=CN=C1C |
| IUPAC Name | 2-ethoxy-3-methylpyrazine |
| InChI Key | MMKWCKGYULOKET-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O |
Ethyl 2-Methylacetoacetate 95.0+%, TCI America™
CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C
| PubChem CID | 701 |
|---|---|
| CAS | 609-14-3 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009164 |
| SMILES | CCOC(=O)C(C)C(=O)C |
| IUPAC Name | ethyl 2-methyl-3-oxobutanoate |
| InChI Key | FNENWZWNOPCZGK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Benzyl Methyl Malonate 96.0+%, TCI America™
CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 1-benzyl 3-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 572135 |
|---|---|
| CAS | 52267-39-7 |
| Molecular Weight (g/mol) | 208.21 |
| MDL Number | MFCD00008461 |
| SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f |
| IUPAC Name | 1-benzyl 3-methyl propanedioate |
| InChI Key | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
Methyl L-(+)-Mandelate 98.0+%, TCI America™
CAS: 21210-43-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064246 InChI Key: ITATYELQCJRCCK-UHFFFAOYNA-N Synonym: methyl s-+-mandelate,s-+-methyl mandelate,s-methyl 2-hydroxy-2-phenylacetate,methyl 2s-2-hydroxy-2-phenylacetate,s-methyl mandelate,l-+-mandelic acid methyl ester,+-methyl l-mandelate,methyl l-+-mandelate,methyl hydroxy phenyl acetate #,methyl s-mandelate PubChem CID: 643570 IUPAC Name: methyl 2-hydroxy-2-phenylacetate SMILES: COC(=O)C(O)C1=CC=CC=C1
| PubChem CID | 643570 |
|---|---|
| CAS | 21210-43-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00064246 |
| SMILES | COC(=O)C(O)C1=CC=CC=C1 |
| Synonym | methyl s-+-mandelate,s-+-methyl mandelate,s-methyl 2-hydroxy-2-phenylacetate,methyl 2s-2-hydroxy-2-phenylacetate,s-methyl mandelate,l-+-mandelic acid methyl ester,+-methyl l-mandelate,methyl l-+-mandelate,methyl hydroxy phenyl acetate #,methyl s-mandelate |
| IUPAC Name | methyl 2-hydroxy-2-phenylacetate |
| InChI Key | ITATYELQCJRCCK-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |