Organooxygen compounds
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1,2-Propanediol, MilliporeSigma™
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Neopentyl alcohol, 99%
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
| PubChem CID | 6404 |
|---|---|
| CAS | 75-84-3 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004682 |
| SMILES | CC(C)(C)CO |
| Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
| IUPAC Name | 2,2-dimethylpropan-1-ol |
| InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans, 97%
CAS: 17159-80-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00192156,MFCD16295187 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(O)CC1
| PubChem CID | 86973 |
|---|---|
| CAS | 17159-80-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00192156,MFCD16295187 |
| SMILES | CCOC(=O)C1CCC(O)CC1 |
| Synonym | ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis |
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
2-Phenylethanol, >99%, MP Biomedicals™
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 IUPAC Name: 2-phenylethan-1-ol SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| IUPAC Name | 2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
(R)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee), Thermo Scientific™
CAS: 27854-88-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00077865 InChI Key: HVOAMIOKNARIMR-ZCFIWIBFSA-N Synonym: r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol PubChem CID: 11804747 IUPAC Name: (1R)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O
| PubChem CID | 11804747 |
|---|---|
| CAS | 27854-88-2 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00077865 |
| SMILES | CC(C1=CC=NC=C1)O |
| Synonym | r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-4-ylethanol |
| InChI Key | HVOAMIOKNARIMR-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
(S)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee)
CAS: 54656-96-1 MDL Number: MFCD00077866 InChI Key: HVOAMIOKNARIMR-LURJTMIESA-N Synonym: s-1-pyridin-4-yl ethanol,s---1-4-pyridyl ethanol,1s-1-pyridin-4-yl ethan-1-ol,1s-1-pyridin-4-yl ethanol,s-1-4-pyridyl ethanol,1s-1-4-pyridyl ethanol,s-1-4-pyridinyl ethanol,s--1-4-pyridyl ethanol,1s-1-4-pyridinyl ethanol,--s-1-4-pyridyl ethanol PubChem CID: 10920507 IUPAC Name: (1S)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O
| PubChem CID | 10920507 |
|---|---|
| CAS | 54656-96-1 |
| MDL Number | MFCD00077866 |
| SMILES | CC(C1=CC=NC=C1)O |
| Synonym | s-1-pyridin-4-yl ethanol,s---1-4-pyridyl ethanol,1s-1-pyridin-4-yl ethan-1-ol,1s-1-pyridin-4-yl ethanol,s-1-4-pyridyl ethanol,1s-1-4-pyridyl ethanol,s-1-4-pyridinyl ethanol,s--1-4-pyridyl ethanol,1s-1-4-pyridinyl ethanol,--s-1-4-pyridyl ethanol |
| IUPAC Name | (1S)-1-pyridin-4-ylethanol |
| InChI Key | HVOAMIOKNARIMR-LURJTMIESA-N |
3,3-Dimethyl-1-butanol, 97%
CAS: 624-95-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002928 InChI Key: DUXCSEISVMREAX-UHFFFAOYSA-N Synonym: 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 PubChem CID: 12233 IUPAC Name: 3,3-dimethylbutan-1-ol SMILES: CC(C)(C)CCO
| PubChem CID | 12233 |
|---|---|
| CAS | 624-95-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00002928 |
| SMILES | CC(C)(C)CCO |
| Synonym | 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 |
| IUPAC Name | 3,3-dimethylbutan-1-ol |
| InChI Key | DUXCSEISVMREAX-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
Pinacol, 99%
CAS: 76-09-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004462 InChI Key: IVDFJHOHABJVEH-UHFFFAOYSA-N Synonym: pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane PubChem CID: 6425 IUPAC Name: 2,3-dimethylbutane-2,3-diol SMILES: CC(C)(C(C)(C)O)O
| PubChem CID | 6425 |
|---|---|
| CAS | 76-09-5 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00004462 |
| SMILES | CC(C)(C(C)(C)O)O |
| Synonym | pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane |
| IUPAC Name | 2,3-dimethylbutane-2,3-diol |
| InChI Key | IVDFJHOHABJVEH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
2-Pyridinemethanol, 98+%
CAS: 586-98-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006348 InChI Key: SHNUBALDGXWUJI-UHFFFAOYSA-N Synonym: 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol PubChem CID: 11474 IUPAC Name: pyridin-2-ylmethanol SMILES: C1=CC=NC(=C1)CO
| PubChem CID | 11474 |
|---|---|
| CAS | 586-98-1 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00006348 |
| SMILES | C1=CC=NC(=C1)CO |
| Synonym | 2-pyridinemethanol,2-hydroxymethyl pyridine,piconol,2-pyridinylmethanol,2-pyridylmethanol,2-pyridylcarbinol,pyridine-2-methanol,pyridine-2-carbinol,alpha-picolyl alcohol,pyridin-2-yl methanol |
| IUPAC Name | pyridin-2-ylmethanol |
| InChI Key | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
2-Adamantanol, 98%
CAS: 700-57-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00074744 InChI Key: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonym: 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 PubChem CID: 64149 IUPAC Name: adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O
| PubChem CID | 64149 |
|---|---|
| CAS | 700-57-2 |
| Molecular Weight (g/mol) | 152.24 |
| MDL Number | MFCD00074744 |
| SMILES | C1C2CC3CC1CC(C2)C3O |
| Synonym | 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 |
| IUPAC Name | adamantan-2-ol |
| InChI Key | FOWDOWQYRZXQDP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol, 98%
CAS: 22323-82-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00063239 InChI Key: RNVYQYLELCKWAN-UHFFFAOYNA-N Synonym: s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol PubChem CID: 736057 IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(C)OCC(CO)O1
| PubChem CID | 736057 |
|---|---|
| CAS | 22323-82-6 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00063239 |
| SMILES | CC1(C)OCC(CO)O1 |
| Synonym | s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol |
| IUPAC Name | [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Cyclohexanemethanol, 99%
CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00001510 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO
| PubChem CID | 7507 |
|---|---|
| CAS | 100-49-2 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00001510 |
| SMILES | C1CCC(CC1)CO |
| Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
| IUPAC Name | cyclohexylmethanol |
| InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
Ursodeoxycholic acid, 99%, Thermo Scientific Chemicals
CAS: 128-13-2 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003680 InChI Key: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonym: ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid PubChem CID: 31401 ChEBI: CHEBI:9907 IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
| PubChem CID | 31401 |
|---|---|
| CAS | 128-13-2 |
| Molecular Weight (g/mol) | 392.58 |
| ChEBI | CHEBI:9907 |
| MDL Number | MFCD00003680 |
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C |
| Synonym | ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid |
| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI Key | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Molecular Formula | C24H40O4 |
3-Methyl-3-hexanol, 99%
CAS: 597-96-6 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.204 MDL Number: MFCD00021839 InChI Key: KYWJZCSJMOILIZ-UHFFFAOYSA-N Synonym: 3-methyl-3-hexanol,3-hexanol, 3-methyl,2-ethyl-2-pentanol,3-methyl-hexanol-3,3-methyl-hexanol-3 german,acmc-20an0r,4-01-00-01749 beilstein handbook reference PubChem CID: 11708 IUPAC Name: 3-methylhexan-3-ol SMILES: CCCC(C)(CC)O
| PubChem CID | 11708 |
|---|---|
| CAS | 597-96-6 |
| Molecular Weight (g/mol) | 116.204 |
| MDL Number | MFCD00021839 |
| SMILES | CCCC(C)(CC)O |
| Synonym | 3-methyl-3-hexanol,3-hexanol, 3-methyl,2-ethyl-2-pentanol,3-methyl-hexanol-3,3-methyl-hexanol-3 german,acmc-20an0r,4-01-00-01749 beilstein handbook reference |
| IUPAC Name | 3-methylhexan-3-ol |
| InChI Key | KYWJZCSJMOILIZ-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |