Organooxygen compounds
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2-(Hydroxymethyl)-15-crown 5-Ether 96.0+%, TCI America™
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CAS: 75507-25-4 Molecular Formula: C11H22O6 Molecular Weight (g/mol): 250.291 MDL Number: MFCD00192215 InChI Key: YHIQMMGCRYKJLB-UHFFFAOYSA-N PubChem CID: 2733744 IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol SMILES: C1COCCOCC(OCCOCCO1)CO
| PubChem CID | 2733744 |
|---|---|
| CAS | 75507-25-4 |
| Molecular Weight (g/mol) | 250.291 |
| MDL Number | MFCD00192215 |
| SMILES | C1COCCOCC(OCCOCCO1)CO |
| IUPAC Name | 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol |
| InChI Key | YHIQMMGCRYKJLB-UHFFFAOYSA-N |
| Molecular Formula | C11H22O6 |
2-(Hydroxymethyl)-12-crown 4-Ether 95.0+%, TCI America™
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CAS: 75507-26-5 Molecular Formula: C9H18O5 Molecular Weight (g/mol): 206.238 MDL Number: MFCD00067524 InChI Key: NJIPEIQHUNDGPY-UHFFFAOYSA-N Synonym: 1,4,7,10-tetraoxacyclododecane-2-methanol,2-hydroxymethyl-12-crown-4,2-hydroxymethyl-12-crown4-ether,1,4,7,10-tetraoxacyclododecan-2-ylmethanol,2-hydroxymethyl-12-crown,2-hydroxymethyl-12-crown 4-ether,2-hydroxymethyl-12-crown-4-ether,2-hydroxymethyl-1,2-crown 4-ether,1,4,7,10-tetraoxacyclododecan-2-methanol,2,5,8,11-tetraoxacyclododecyl methan-1-ol PubChem CID: 2733085 IUPAC Name: 1,4,7,10-tetraoxacyclododec-2-ylmethanol SMILES: C1COCCOC(COCCO1)CO
| PubChem CID | 2733085 |
|---|---|
| CAS | 75507-26-5 |
| Molecular Weight (g/mol) | 206.238 |
| MDL Number | MFCD00067524 |
| SMILES | C1COCCOC(COCCO1)CO |
| Synonym | 1,4,7,10-tetraoxacyclododecane-2-methanol,2-hydroxymethyl-12-crown-4,2-hydroxymethyl-12-crown4-ether,1,4,7,10-tetraoxacyclododecan-2-ylmethanol,2-hydroxymethyl-12-crown,2-hydroxymethyl-12-crown 4-ether,2-hydroxymethyl-12-crown-4-ether,2-hydroxymethyl-1,2-crown 4-ether,1,4,7,10-tetraoxacyclododecan-2-methanol,2,5,8,11-tetraoxacyclododecyl methan-1-ol |
| IUPAC Name | 1,4,7,10-tetraoxacyclododec-2-ylmethanol |
| InChI Key | NJIPEIQHUNDGPY-UHFFFAOYSA-N |
| Molecular Formula | C9H18O5 |
2-Mercapto-5-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 55690-60-3 Molecular Formula: C8H7NOS2 Molecular Weight (g/mol): 197.27 MDL Number: MFCD00185941 InChI Key: JDPITNFDYXOKRM-UHFFFAOYSA-N Synonym: 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole PubChem CID: 2830679 IUPAC Name: 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione SMILES: COC1=CC=C2SC(=S)NC2=C1
| PubChem CID | 2830679 |
|---|---|
| CAS | 55690-60-3 |
| Molecular Weight (g/mol) | 197.27 |
| MDL Number | MFCD00185941 |
| SMILES | COC1=CC=C2SC(=S)NC2=C1 |
| Synonym | 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole |
| IUPAC Name | 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione |
| InChI Key | JDPITNFDYXOKRM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS2 |
Ethyl Nonafluorobutyl Ether (mixture of isomers) 98.0+%, TCI America™
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CAS: 813458-04-7 Molecular Formula: C6H5F9O Molecular Weight (g/mol): 264.091 InChI Key: DFUYAWQUODQGFF-UHFFFAOYSA-N Synonym: Ethyl Perfluorobutyl Ether, Nonafluorobutyl Ethyl Ether, Perfluorobutyl Ethyl Ether PubChem CID: 206000 IUPAC Name: 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane SMILES: CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 206000 |
|---|---|
| CAS | 813458-04-7 |
| Molecular Weight (g/mol) | 264.091 |
| SMILES | CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| Synonym | Ethyl Perfluorobutyl Ether, Nonafluorobutyl Ethyl Ether, Perfluorobutyl Ethyl Ether |
| IUPAC Name | 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane |
| InChI Key | DFUYAWQUODQGFF-UHFFFAOYSA-N |
| Molecular Formula | C6H5F9O |
2-Amino-6-methoxypurine 97.0+%, TCI America™
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CAS: 20535-83-5 Molecular Formula: C6H7N5O Molecular Weight (g/mol): 165.156 MDL Number: MFCD00133009 InChI Key: BXJHWYVXLGLDMZ-UHFFFAOYSA-N Synonym: O-Methylguanine PubChem CID: 65275 ChEBI: CHEBI:20689 IUPAC Name: 6-methoxy-7H-purin-2-amine SMILES: COC1=NC(=NC2=C1NC=N2)N
| PubChem CID | 65275 |
|---|---|
| CAS | 20535-83-5 |
| Molecular Weight (g/mol) | 165.156 |
| ChEBI | CHEBI:20689 |
| MDL Number | MFCD00133009 |
| SMILES | COC1=NC(=NC2=C1NC=N2)N |
| Synonym | O-Methylguanine |
| IUPAC Name | 6-methoxy-7H-purin-2-amine |
| InChI Key | BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N5O |
3-(Dicyanomethylidene)indan-1-one 98.0+%, TCI America™
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CAS: 1080-74-6 Molecular Formula: C12H6N2O Molecular Weight (g/mol): 194.19 MDL Number: MFCD00143117 InChI Key: QNVKZKOSAXYVFZ-UHFFFAOYSA-N PubChem CID: 3293617 IUPAC Name: 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile SMILES: O=C1CC(=C(C#N)C#N)C2=CC=CC=C12
| PubChem CID | 3293617 |
|---|---|
| CAS | 1080-74-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00143117 |
| SMILES | O=C1CC(=C(C#N)C#N)C2=CC=CC=C12 |
| IUPAC Name | 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile |
| InChI Key | QNVKZKOSAXYVFZ-UHFFFAOYSA-N |
| Molecular Formula | C12H6N2O |
(S)-(-)-1-Phenylethyl Alcohol 98.0+%, TCI America™
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CAS: 1445-91-6 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00064264 InChI Key: WAPNOHKVXSQRPX-ZETCQYMHSA-N Synonym: s-1-phenylethanol,s---1-phenylethanol,1s-1-phenylethanol,1s-1-phenylethan-1-ol,unii-2mic4qly2x,1-phenylethanol, s,2mic4qly2x,s-1-phenethyl alcohol,s-1-phenyl-1-ethanol,s-1-phenylethan-1-ol PubChem CID: 443135 ChEBI: CHEBI:16346 IUPAC Name: (1S)-1-phenylethan-1-ol SMILES: C[C@H](O)C1=CC=CC=C1
| PubChem CID | 443135 |
|---|---|
| CAS | 1445-91-6 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:16346 |
| MDL Number | MFCD00064264 |
| SMILES | C[C@H](O)C1=CC=CC=C1 |
| Synonym | s-1-phenylethanol,s---1-phenylethanol,1s-1-phenylethanol,1s-1-phenylethan-1-ol,unii-2mic4qly2x,1-phenylethanol, s,2mic4qly2x,s-1-phenethyl alcohol,s-1-phenyl-1-ethanol,s-1-phenylethan-1-ol |
| IUPAC Name | (1S)-1-phenylethan-1-ol |
| InChI Key | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
| Molecular Formula | C8H10O |
4-(Difluoromethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 73960-07-3 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042252 InChI Key: ZWCXOJYJJINQGU-UHFFFAOYSA-N Synonym: 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 PubChem CID: 2736986 IUPAC Name: 4-(difluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)F
| PubChem CID | 2736986 |
|---|---|
| CAS | 73960-07-3 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042252 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)F |
| Synonym | 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 |
| IUPAC Name | 4-(difluoromethoxy)benzaldehyde |
| InChI Key | ZWCXOJYJJINQGU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
Valeraldehyde 95.0+%, TCI America™
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CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
N,N,N',N'-Tetrabutylmalonamide 97.0+%, TCI America™
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CAS: 14287-98-0 Molecular Formula: C19H38N2O2 Molecular Weight (g/mol): 326.53 MDL Number: MFCD00089288 InChI Key: QTVRIQFMPJRJAK-UHFFFAOYSA-N PubChem CID: 3494509 IUPAC Name: N,N,N',N'-tetrabutylpropanediamide SMILES: CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC
| PubChem CID | 3494509 |
|---|---|
| CAS | 14287-98-0 |
| Molecular Weight (g/mol) | 326.53 |
| MDL Number | MFCD00089288 |
| SMILES | CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC |
| IUPAC Name | N,N,N',N'-tetrabutylpropanediamide |
| InChI Key | QTVRIQFMPJRJAK-UHFFFAOYSA-N |
| Molecular Formula | C19H38N2O2 |
1-Phenacylpyridinium Bromide 98.0+%, TCI America™
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CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.149 MDL Number: MFCD00031995 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
| PubChem CID | 2798954 |
|---|---|
| CAS | 16883-69-5 |
| Molecular Weight (g/mol) | 278.149 |
| MDL Number | MFCD00031995 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| Synonym | 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChI Key | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| Molecular Formula | C13H12BrNO |
Triethylene Glycol Monododecyl Ether 95.0+%, TCI America™
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CAS: 3055-94-5 Molecular Formula: C18H38O4 Molecular Weight (g/mol): 318.50 MDL Number: MFCD00042659 InChI Key: FKMHSNTVILORFA-UHFFFAOYSA-N PubChem CID: 76458 IUPAC Name: 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol SMILES: CCCCCCCCCCCCOCCOCCOCCO
| PubChem CID | 76458 |
|---|---|
| CAS | 3055-94-5 |
| Molecular Weight (g/mol) | 318.50 |
| MDL Number | MFCD00042659 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCO |
| IUPAC Name | 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol |
| InChI Key | FKMHSNTVILORFA-UHFFFAOYSA-N |
| Molecular Formula | C18H38O4 |
4'-(Trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 709-63-7 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000401 InChI Key: HHAISVSEJFEWBZ-UHFFFAOYSA-N Synonym: 4'-trifluoromethyl acetophenone,1-4-trifluoromethyl phenyl ethanone,1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethylacetophenone,4-acetylbenzotrifluoride,4-trifluoromethyl acetophenone,p-trifluoromethylacetophenone,4'-trifluoromethylacetophenone,ethanone, 1-4-trifluoromethyl phenyl PubChem CID: 69731 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 69731 |
|---|---|
| CAS | 709-63-7 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00000401 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4'-trifluoromethyl acetophenone,1-4-trifluoromethyl phenyl ethanone,1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethylacetophenone,4-acetylbenzotrifluoride,4-trifluoromethyl acetophenone,p-trifluoromethylacetophenone,4'-trifluoromethylacetophenone,ethanone, 1-4-trifluoromethyl phenyl |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]ethanone |
| InChI Key | HHAISVSEJFEWBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
4-Chromanol 98.0+%, TCI America™
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CAS: 1481-93-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00006849 InChI Key: MGSHXMOLUWTMGP-UHFFFAOYSA-N Synonym: 4-chromanol,chroman-4-ol,3,4-dihydro-2h-1-benzopyran-4-ol,4-hydroxychroman,2h-1-benzopyran-4-ol, 3,4-dihydro,acmc-20mukj,3'-carboxy-alpha-chromanol,2h-1-benzopyran-4-ol,3,4-dihydro PubChem CID: 92890 IUPAC Name: 3,4-dihydro-2H-chromen-4-ol SMILES: C1COC2=CC=CC=C2C1O
| PubChem CID | 92890 |
|---|---|
| CAS | 1481-93-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00006849 |
| SMILES | C1COC2=CC=CC=C2C1O |
| Synonym | 4-chromanol,chroman-4-ol,3,4-dihydro-2h-1-benzopyran-4-ol,4-hydroxychroman,2h-1-benzopyran-4-ol, 3,4-dihydro,acmc-20mukj,3'-carboxy-alpha-chromanol,2h-1-benzopyran-4-ol,3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-chromen-4-ol |
| InChI Key | MGSHXMOLUWTMGP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2',5'-Dimethylacetophenone 98.0+%, TCI America™
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CAS: 2142-73-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00014988 InChI Key: AWKBVLVKQQRRFQ-UHFFFAOYSA-N Synonym: 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone PubChem CID: 75061 IUPAC Name: 1-(2,5-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C)C(=O)C
| PubChem CID | 75061 |
|---|---|
| CAS | 2142-73-6 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00014988 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C |
| Synonym | 2',5'-dimethylacetophenone,2,5-dimethylacetophenone,1-2,5-dimethylphenyl ethanone,1-2,5-dimethylphenyl ethan-1-one,ethanone, 1-2,5-dimethylphenyl,acetophenone, 2',5'-dimethyl,1-acetyl-2,5-dimethylbenzene,2-acetyl-p-xylene,acmc-1cliy,2',5'dimethylacetophenone |
| IUPAC Name | 1-(2,5-dimethylphenyl)ethanone |
| InChI Key | AWKBVLVKQQRRFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |