| 2D Structure | |
| CID | 61016 |
| Target | CYP3A4 |
| IUPAC Name | 2,6-dimethylhept-5-enal |
| InChI | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3 |
| InChI Key | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
| Canonical SMILES | CC(CCC=C(C)C)C=O |
| Isomeric SMILES | CC(CCC=C(C)C)C=O |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.22 |
| synonyms | ['2,6-Dimethyl-5-heptenal', '2,6-Dimethylhept-5-enal', '106-72-9', 'Melonal', 'Bergamal', '5-HEPTENAL, 2,6-DIMETHYL-', '2,6-Dimethyl-5-hepten-1-al', '2,6-Dimethyl-5-heptanal', 'FEMA No. 2389', '2,6-Dimethylhept-5-en-1-al', '2,6-Dimethyl-2-hepten-7-al', 'dimethyl heptenal', 'EINECS 203-427-2', '2,6-Dimethyl-5-heptenal (natural)', 'NSC 78450', 'BRN 1745855', 'MELOMOR', 'Z331YX9EL9', 'DTXSID8044753', 'AI3-33278', 'NSC-78450', 'DTXCID6024753', '4-01-00-03508 (Beilstein Handbook Reference)', '2,6-DIMETHYL-5-HEPTENAL [FCC]', '2,6-DIMETHYL-5-HEPTENAL [FHFI]', '(+-)-2,6-dimethyl-5-heptenal', '2,6Dimethylhept5enal', '2,6Dimethyl2hepten7al', '2,6Dimethylhept5en1al', '5Heptenal, 2,6dimethyl', '2,6Dimethyl5heptenal (natural)', 'DIMETHYL HEPTENAL [INCI]', '2,6-DMH', '203-427-2', 'MFCD00006981', '(+/-)-2,6-Dimethyl-5-heptenal', '2,6-Dimethyl-5-heptenal, mixture of isomers', 'UNII-Z331YX9EL9', '77787-60-1', '5-Heptenal,6-dimethyl-', 'SCHEMBL29785', 'CHEMBL3184983', '2,6-dimethyl hept-5-en-1-al', 'CHEBI:229323', 'NSC78450', 'Tox21_300941', 'LMFA06000127', 'AKOS015901999', 'NCGC00248220-01', 'NCGC00254843-01', 'AS-75502', 'BP-10922', 'CAS-106-72-9', 'SY003221', '2,6-Dimethyl-5-heptenal, stabilized, FCC', 'DB-003243', 'D1413', 'NS00012302', 'D89853', '2,6-Dimethyl-5-heptenal, technical grade, 80%', 'EN300-7645439', 'Q27294928'] |
From Pubchem