Organooxygen compounds
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4,4-Dimethylcyclohexan-1-ol, 95%, Thermo Scientific™
CAS: 932-01-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00101954 InChI Key: VUQOIZPFYIVUKD-UHFFFAOYSA-N PubChem CID: 136735 IUPAC Name: 4,4-dimethylcyclohexan-1-ol SMILES: CC1(C)CCC(O)CC1
| PubChem CID | 136735 |
|---|---|
| CAS | 932-01-4 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00101954 |
| SMILES | CC1(C)CCC(O)CC1 |
| IUPAC Name | 4,4-dimethylcyclohexan-1-ol |
| InChI Key | VUQOIZPFYIVUKD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2-Benzothiazolemethanol, 97%
CAS: 37859-42-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00226293 InChI Key: PQXMQZYDBQBWNL-UHFFFAOYSA-N Synonym: benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol PubChem CID: 268122 IUPAC Name: 1,3-benzothiazol-2-ylmethanol SMILES: OCC1=NC2=CC=CC=C2S1
| PubChem CID | 268122 |
|---|---|
| CAS | 37859-42-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00226293 |
| SMILES | OCC1=NC2=CC=CC=C2S1 |
| Synonym | benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol |
| IUPAC Name | 1,3-benzothiazol-2-ylmethanol |
| InChI Key | PQXMQZYDBQBWNL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
1-Heptadecanol, 97%
CAS: 1454-85-9 InChI Key: GOQYKNQRPGWPLP-UHFFFAOYSA-N Synonym: 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 PubChem CID: 15076 ChEBI: CHEBI:77470 IUPAC Name: heptadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCO
| PubChem CID | 15076 |
|---|---|
| CAS | 1454-85-9 |
| ChEBI | CHEBI:77470 |
| SMILES | CCCCCCCCCCCCCCCCCO |
| Synonym | 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 |
| IUPAC Name | heptadecan-1-ol |
| InChI Key | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
2-Methyl-2,4-pentanediol, 99+%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:62995 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
n-Amyl Alcohol, 99.5%, MP Biomedicals
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Triethylene Glycol, Purified, 97%, Spectrum™ Chemical
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CAS: 112-27-6 Molecular Formula: C6H14O4 Molecular Weight (g/mol): 150.17 InChI Key: ZIBGPFATKBEMQZ-UHFFFAOYSA-N IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethan-1-ol SMILES: OCCOCCOCCO
| CAS | 112-27-6 |
|---|---|
| Molecular Weight (g/mol) | 150.17 |
| SMILES | OCCOCCOCCO |
| IUPAC Name | 2-[2-(2-hydroxyethoxy)ethoxy]ethan-1-ol |
| InChI Key | ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O4 |
10-Bromo-1-decanol, 95%
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr
| PubChem CID | 104507 |
|---|---|
| CAS | 53463-68-6 |
| Molecular Weight (g/mol) | 237.18 |
| MDL Number | MFCD00041681 |
| SMILES | OCCCCCCCCCCBr |
| Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
| IUPAC Name | 10-bromodecan-1-ol |
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
| Molecular Formula | C10H21BrO |
cis-3-Methylcyclohexanol, 95%, Thermo Scientific Chemicals
CAS: 24965-90-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00067155 InChI Key: HTSABYAWKQAHBT-RQJHMYQMSA-N Synonym: cis-3-methylcyclohexanol,cyclohexanol, 3-methyl-, cis,1s,3r-3-methylcyclohexan-1-ol,3-methyl cyclohexanol, cis,3-methylcyclohexanol, z,cis 3-methylcyclohexanol,cis-3-methyl-cyclohexanol,1s,3r-3-methyl-cyclohexanol,1alpha-3alpha-methylcyclohexanol PubChem CID: 229503 IUPAC Name: (1S,3R)-3-methylcyclohexan-1-ol SMILES: CC1CCCC(C1)O
| PubChem CID | 229503 |
|---|---|
| CAS | 24965-90-0 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00067155 |
| SMILES | CC1CCCC(C1)O |
| Synonym | cis-3-methylcyclohexanol,cyclohexanol, 3-methyl-, cis,1s,3r-3-methylcyclohexan-1-ol,3-methyl cyclohexanol, cis,3-methylcyclohexanol, z,cis 3-methylcyclohexanol,cis-3-methyl-cyclohexanol,1s,3r-3-methyl-cyclohexanol,1alpha-3alpha-methylcyclohexanol |
| IUPAC Name | (1S,3R)-3-methylcyclohexan-1-ol |
| InChI Key | HTSABYAWKQAHBT-RQJHMYQMSA-N |
| Molecular Formula | C7H14O |
(+/-)-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Ethyl glycolate, 95%
CAS: 623-50-7 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00021970 InChI Key: ZANNOFHADGWOLI-UHFFFAOYSA-N Synonym: ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester PubChem CID: 12184 IUPAC Name: ethyl 2-hydroxyacetate SMILES: CCOC(=O)CO
| PubChem CID | 12184 |
|---|---|
| CAS | 623-50-7 |
| Molecular Weight (g/mol) | 104.11 |
| MDL Number | MFCD00021970 |
| SMILES | CCOC(=O)CO |
| Synonym | ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxyacetate |
| InChI Key | ZANNOFHADGWOLI-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
5-Chloro-1-pentanol, 95%
CAS: 5259-98-3 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.59 MDL Number: MFCD00039556 InChI Key: DCBJCKDOZLTTDW-UHFFFAOYSA-N Synonym: 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l PubChem CID: 78915 IUPAC Name: 5-chloropentan-1-ol SMILES: OCCCCCCl
| PubChem CID | 78915 |
|---|---|
| CAS | 5259-98-3 |
| Molecular Weight (g/mol) | 122.59 |
| MDL Number | MFCD00039556 |
| SMILES | OCCCCCCl |
| Synonym | 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l |
| IUPAC Name | 5-chloropentan-1-ol |
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
Entecavir monohydrate, 99%, Thermo Scientific Chemicals
CAS: 209216-23-9 Molecular Formula: C12H15N5O3·H20 Molecular Weight (g/mol): 295.29 InChI Key: YXPVEXCTPGULBZ-WQYNNSOESA-N Synonym: entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 PubChem CID: 16052026 ChEBI: CHEBI:59902 IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
| PubChem CID | 16052026 |
|---|---|
| CAS | 209216-23-9 |
| Molecular Weight (g/mol) | 295.29 |
| ChEBI | CHEBI:59902 |
| SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O |
| Synonym | entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate |
| InChI Key | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| Molecular Formula | C12H15N5O3·H20 |
3-Methyl-1,5-pentanediol, 99%
CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N Synonym: 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO
| PubChem CID | 20524 |
|---|---|
| CAS | 4457-71-0 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00039547 |
| SMILES | CC(CCO)CCO |
| Synonym | 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChI Key | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
Dihydromyrcenol, MP Biomedicals™
CAS: 18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
| PubChem CID | 29096 |
|---|---|
| CAS | 18479-58-8 |
| Molecular Weight (g/mol) | 156.269 |
| ChEBI | CHEBI:87528 |
| MDL Number | MFCD00004474 |
| SMILES | CC(CCCC(C)(C)O)C=C |
| Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
| IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
| InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
cis-2-Butene-1,4-diol, 96%, remainder trans-isomer
CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 IUPAC Name: (Z)-but-2-ene-1,4-diol SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| IUPAC Name | (Z)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |