Organooxygen compounds
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2-Ethylhexanal 95.0+%, TCI America™
CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
| PubChem CID | 31241 |
|---|---|
| CAS | 123-05-7 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00006987 |
| SMILES | CCCCC(CC)C=O |
| Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
| IUPAC Name | 2-ethylhexanal |
| InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
Ethyl (2,3,4,5-Tetrafluorobenzoyl)acetate 98.0+%, TCI America™
CAS: 94695-50-8 Molecular Formula: C11H8F4O3 Molecular Weight (g/mol): 264.176 MDL Number: MFCD00523020 InChI Key: KWDVJYLIAJHEOW-UHFFFAOYSA-N Synonym: (2,3,4,5-Tetrafluorobenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate, 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester PubChem CID: 600916 IUPAC Name: ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate SMILES: CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F
| PubChem CID | 600916 |
|---|---|
| CAS | 94695-50-8 |
| Molecular Weight (g/mol) | 264.176 |
| MDL Number | MFCD00523020 |
| SMILES | CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F |
| Synonym | (2,3,4,5-Tetrafluorobenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate, 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate |
| InChI Key | KWDVJYLIAJHEOW-UHFFFAOYSA-N |
| Molecular Formula | C11H8F4O3 |
4-Amylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 54410-90-1 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 InChI Key: VHWGPISIUNUREA-UHFFFAOYSA-N Synonym: 4-Pentylcyclohexanol PubChem CID: 41076 IUPAC Name: 4-pentylcyclohexan-1-ol SMILES: CCCCCC1CCC(CC1)O
| PubChem CID | 41076 |
|---|---|
| CAS | 54410-90-1 |
| Molecular Weight (g/mol) | 170.296 |
| SMILES | CCCCCC1CCC(CC1)O |
| Synonym | 4-Pentylcyclohexanol |
| IUPAC Name | 4-pentylcyclohexan-1-ol |
| InChI Key | VHWGPISIUNUREA-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |
Ethylene Glycol Mono-tert-butyl Ether 99.0+%, TCI America™
CAS: 7580-85-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00059004 InChI Key: BDLXTDLGTWNUFM-UHFFFAOYSA-N Synonym: 2-tert-Butoxyethanol, tert-Butyl Cellosolve PubChem CID: 24232 IUPAC Name: 2-(tert-butoxy)ethan-1-ol SMILES: CC(C)(C)OCCO
| PubChem CID | 24232 |
|---|---|
| CAS | 7580-85-0 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00059004 |
| SMILES | CC(C)(C)OCCO |
| Synonym | 2-tert-Butoxyethanol, tert-Butyl Cellosolve |
| IUPAC Name | 2-(tert-butoxy)ethan-1-ol |
| InChI Key | BDLXTDLGTWNUFM-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
Entecavir Monohydrate 98.0+%, TCI America™
CAS: 209216-23-9 Molecular Formula: C12H17N5O4 Molecular Weight (g/mol): 295.299 MDL Number: MFCD09754448 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) | 295.299 |
| ChEBI | CHEBI:59902 |
| MDL Number | MFCD09754448 |
| 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 | C12H17N5O4 |
4'-Bromo-2'-fluoroacetophenone 98.0+%, TCI America™
CAS: 625446-22-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD03411551 InChI Key: ASKFCSCYGAFWAB-UHFFFAOYSA-N Synonym: 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j PubChem CID: 21938581 IUPAC Name: 1-(4-bromo-2-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Br)F
| PubChem CID | 21938581 |
|---|---|
| CAS | 625446-22-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD03411551 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Br)F |
| Synonym | 1-4-bromo-2-fluorophenyl ethanone,4-bromo-2-fluoroacetophenone,4'-bromo-2'-fluoroacetophenone,1-4-bromo-2-fluorophenyl ethan-1-one,1-acetyl-4-bromo-2-fluorobenzene,ethanone, 1-4-bromo-2-fluorophenyl,2-fluoro-4-bromoacetophenone,1-4-bromo-2-fluoro-phenyl-ethanone,acmc-209n4s,ksc352o4j |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)ethanone |
| InChI Key | ASKFCSCYGAFWAB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3-Benzyloxy-5-bromopyridine 98.0+%, TCI America™
CAS: 130722-95-1 Molecular Formula: C12H10BrNO Molecular Weight (g/mol): 264.122 MDL Number: MFCD07375004 InChI Key: YSHKYZAWTWKQKK-UHFFFAOYSA-N PubChem CID: 15389198 IUPAC Name: 3-bromo-5-phenylmethoxypyridine SMILES: C1=CC=C(C=C1)COC2=CC(=CN=C2)Br
| PubChem CID | 15389198 |
|---|---|
| CAS | 130722-95-1 |
| Molecular Weight (g/mol) | 264.122 |
| MDL Number | MFCD07375004 |
| SMILES | C1=CC=C(C=C1)COC2=CC(=CN=C2)Br |
| IUPAC Name | 3-bromo-5-phenylmethoxypyridine |
| InChI Key | YSHKYZAWTWKQKK-UHFFFAOYSA-N |
| Molecular Formula | C12H10BrNO |
Ethyl 3-Oxo-3-(pyrazin-2-yl)propionate 98.0+%, TCI America™
CAS: 62124-77-0 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD04114374 InChI Key: OPBDMDPBJKVMNL-UHFFFAOYSA-N Synonym: 3-Oxo-3-(pyrazin-2-yl)propionic Acid Ethyl Ester PubChem CID: 6454349 IUPAC Name: ethyl 3-oxo-3-pyrazin-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=NC=CN=C1
| PubChem CID | 6454349 |
|---|---|
| CAS | 62124-77-0 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD04114374 |
| SMILES | CCOC(=O)CC(=O)C1=NC=CN=C1 |
| Synonym | 3-Oxo-3-(pyrazin-2-yl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxo-3-pyrazin-2-ylpropanoate |
| InChI Key | OPBDMDPBJKVMNL-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O3 |
2-Butyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran 98.0+%, TCI America™
CAS: 1951-26-4 Molecular Formula: C19H16I2O3 Molecular Weight (g/mol): 546.143 MDL Number: MFCD02675787 InChI Key: PNFMEGSMKIHDFZ-UHFFFAOYSA-N Synonym: (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone PubChem CID: 74769 ChEBI: CHEBI:79661 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
| PubChem CID | 74769 |
|---|---|
| CAS | 1951-26-4 |
| Molecular Weight (g/mol) | 546.143 |
| ChEBI | CHEBI:79661 |
| MDL Number | MFCD02675787 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I |
| Synonym | (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone |
| InChI Key | PNFMEGSMKIHDFZ-UHFFFAOYSA-N |
| Molecular Formula | C19H16I2O3 |
Benzyl 2-Hydroxyphenyl Ketone 98.0+%, TCI America™
CAS: 2491-31-8 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00218589 InChI Key: VGHVJQXWDXRTRJ-UHFFFAOYSA-N Synonym: 2′C-Hydroxy-2-phenylacetophenone PubChem CID: 137612 IUPAC Name: 1-(2-hydroxyphenyl)-2-phenylethan-1-one SMILES: OC1=CC=CC=C1C(=O)CC1=CC=CC=C1
| PubChem CID | 137612 |
|---|---|
| CAS | 2491-31-8 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00218589 |
| SMILES | OC1=CC=CC=C1C(=O)CC1=CC=CC=C1 |
| Synonym | 2′C-Hydroxy-2-phenylacetophenone |
| IUPAC Name | 1-(2-hydroxyphenyl)-2-phenylethan-1-one |
| InChI Key | VGHVJQXWDXRTRJ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Benzyloxy-2-methylbenzaldehyde 97.0+%, TCI America™
CAS: 101093-56-5 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD01317809 InChI Key: OGVPJBJWJCZBTH-UHFFFAOYSA-N Synonym: 4-Benzyloxy-o-tolualdehyde PubChem CID: 2759806 IUPAC Name: 2-methyl-4-phenylmethoxybenzaldehyde SMILES: CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C=O
| PubChem CID | 2759806 |
|---|---|
| CAS | 101093-56-5 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD01317809 |
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C=O |
| Synonym | 4-Benzyloxy-o-tolualdehyde |
| IUPAC Name | 2-methyl-4-phenylmethoxybenzaldehyde |
| InChI Key | OGVPJBJWJCZBTH-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
2-Ethoxyethylamine 98.0+%, TCI America™
CAS: 110-76-9 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.138 MDL Number: MFCD00025604 InChI Key: BPGIOCZAQDIBPI-UHFFFAOYSA-N Synonym: 2-Aminoethyl Ethyl Ether, O-Ethylethanolamine PubChem CID: 66970 IUPAC Name: 2-ethoxyethanamine SMILES: CCOCCN
| PubChem CID | 66970 |
|---|---|
| CAS | 110-76-9 |
| Molecular Weight (g/mol) | 89.138 |
| MDL Number | MFCD00025604 |
| SMILES | CCOCCN |
| Synonym | 2-Aminoethyl Ethyl Ether, O-Ethylethanolamine |
| IUPAC Name | 2-ethoxyethanamine |
| InChI Key | BPGIOCZAQDIBPI-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
Ethyl 1,1,2,2-Tetrafluoroethyl Ether 98.0+%, TCI America™
CAS: 512-51-6 Molecular Formula: C4H6F4O Molecular Weight (g/mol): 146.09 MDL Number: MFCD00069162 InChI Key: HBRLMDFVVMYNFH-UHFFFAOYSA-N Synonym: ethyl 1,1,2,2-tetrafluoroethyl ether,374pce-beta-gamma,1,1,2,2-tetrafluoroethyl ethyl ether,ethane, 1-ethoxy-1,1,2,2-tetrafluoro,ether, ethyl 1,1,2,2-tetrafluoroethyl,acmc-1anqb,1,1,2,2-tetrafluoroethyl ether,1,1,2,2-tetrafluoroethoxyethane,1,1,2,2-tetrafluoro ethyl ether,3-oxa-1,1,2,2-tetrafluoropentane PubChem CID: 120272 IUPAC Name: 1-ethoxy-1,1,2,2-tetrafluoroethane SMILES: CCOC(F)(F)C(F)F
| PubChem CID | 120272 |
|---|---|
| CAS | 512-51-6 |
| Molecular Weight (g/mol) | 146.09 |
| MDL Number | MFCD00069162 |
| SMILES | CCOC(F)(F)C(F)F |
| Synonym | ethyl 1,1,2,2-tetrafluoroethyl ether,374pce-beta-gamma,1,1,2,2-tetrafluoroethyl ethyl ether,ethane, 1-ethoxy-1,1,2,2-tetrafluoro,ether, ethyl 1,1,2,2-tetrafluoroethyl,acmc-1anqb,1,1,2,2-tetrafluoroethyl ether,1,1,2,2-tetrafluoroethoxyethane,1,1,2,2-tetrafluoro ethyl ether,3-oxa-1,1,2,2-tetrafluoropentane |
| IUPAC Name | 1-ethoxy-1,1,2,2-tetrafluoroethane |
| InChI Key | HBRLMDFVVMYNFH-UHFFFAOYSA-N |
| Molecular Formula | C4H6F4O |
2-Amino-4-methoxybenzothiazole 98.0+%, TCI America™
CAS: 5464-79-9 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005792 InChI Key: YEBCRAVYUWNFQT-UHFFFAOYSA-N Synonym: 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci PubChem CID: 21622 IUPAC Name: 4-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=C2C(=CC=C1)SC(=N2)N
| PubChem CID | 21622 |
|---|---|
| CAS | 5464-79-9 |
| Molecular Weight (g/mol) | 180.225 |
| MDL Number | MFCD00005792 |
| SMILES | COC1=C2C(=CC=C1)SC(=N2)N |
| Synonym | 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci |
| IUPAC Name | 4-methoxy-1,3-benzothiazol-2-amine |
| InChI Key | YEBCRAVYUWNFQT-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2OS |
2-Acetyl-6-bromopyridine 98.0+%, TCI America™
CAS: 49669-13-8 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00272200 InChI Key: RUJTWTUYVOEEFW-UHFFFAOYSA-N Synonym: 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f PubChem CID: 11298578 IUPAC Name: 1-(6-bromopyridin-2-yl)ethanone SMILES: CC(=O)C1=NC(=CC=C1)Br
| PubChem CID | 11298578 |
|---|---|
| CAS | 49669-13-8 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00272200 |
| SMILES | CC(=O)C1=NC(=CC=C1)Br |
| Synonym | 2-acetyl-6-bromopyridine,2-bromo-6-acetylpyridine,1-6-bromopyridin-2-yl ethanone,1-6-bromopyridin-2-yl ethan-1-one,1-6-bromo-2-pyridinyl-1-ethanone,ethanone, 1-6-bromo-2-pyridinyl,bromopyridinylethanone,pubchem13351,acmc-1ap21,ksc490s1f |
| IUPAC Name | 1-(6-bromopyridin-2-yl)ethanone |
| InChI Key | RUJTWTUYVOEEFW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |