| 2D Structure | |
| CID | 11552 |
| Target | CYP2C19 |
| IUPAC Name | 3-methylbutanal |
| InChI | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| InChI Key | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)CC=O |
| Isomeric SMILES | CC(C)CC=O |
| Molecular Formula | C5H10O |
| Molecular Weight | 86.13 |
| synonyms | ['3-Methylbutanal', 'ISOVALERALDEHYDE', '590-86-3', '3-Methylbutyraldehyde', 'Isovaleral', 'Isopentaldehyde', 'Isoamylaldehyde', 'Isopentanal', 'Isovaleric aldehyde', 'beta-Methylbutanal', 'Isoamyl aldehyde', '2-Methylbutanal-4', '3-Methyl-1-butanal', '1-Butanal, 3-methyl-', 'Butyraldehyde, 3-methyl-', 'iso-C4H9CHO', '3-Methylbutylaldehyde', 'beta-Methylbutyraldehyde', '3-methyl butanal', 'FEMA No. 2692', 'NSC 404119', 'Aldehyde isovalerianique', 'CCRIS 2945', 'HSDB 628', '3-Methylbutyraldehyde (natural)', 'EINECS 209-691-5', 'BRN 0773692', 'DTXSID1021619', 'UNII-69931RWI96', 'CHEBI:16638', 'AI3-16106', 'ISOVALERIC-ALDEHYDE', '69931RWI96', 'NSC-404119', 'DTXCID201619', 'EC 209-691-5', '4-01-00-03291 (Beilstein Handbook Reference)', '209-691-5', 'Butanal, 3-methyl-', 'Isovalerylaldehyde', 'Iso-Valeraldehyde', 'Butanal, methyl-', '3-Methyl-Butanal', '3-Methylbutan-1-al', '3-Methyl butyraldehyde', '3-methyl-Butyraldehyde', '.beta.-Methylbutanal', 'MFCD00007014', 'CHEMBL18360', '26140-47-6', 'Aldehyde isovalerianique [French]', 'b-Methylbutanal', 'Methyl butanal', 'isovaler aldehyde', 'Isovaleraldehyde, 97%', 'ISOVALERALDEHYDE [MI]', 'ISOVALERALDEHYDE [HSDB]', 'WLN: VH1Y1&1', '3-METHYL BUTANAL [FCC]', 'Isovaleraldehyde, >=97%, FG', 'STR03918', 'Isovaleraldehyde, analytical standard', 'Tox21_200891', '3-METHYLBUTYRALDEHYDE [FHFI]', 'BBL027631', 'BDBM50028832', 'NSC404119', 'STL146355', 'AKOS000118930', 'Isovaleraldehyde, natural, >=95%, FG', 'NCGC00248867-01', 'NCGC00258445-01', 'CAS-590-86-3', 'FM140577', 'PD124039', 'I0192', 'NS00006828', 'EN300-18032', 'C07329', 'Q409554', 'F2190-0631', 'InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H'] |
From Pubchem