| 2D Structure | |
| CID | 7351 |
| Target | CYP2C19 |
| IUPAC Name | 2-methylpropyl 2-methylpropanoate |
| InChI | InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3 |
| InChI Key | RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)COC(=O)C(C)C |
| Isomeric SMILES | CC(C)COC(=O)C(C)C |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 |
| synonyms | ['Isobutyl isobutyrate', '97-85-8', '2-Methylpropyl 2-methylpropanoate', '2-Methylpropyl 2-methylpropionate', 'Propanoic acid, 2-methyl-, 2-methylpropyl ester', '2-METHYLPROPYL ISOBUTYRATE', 'FEMA Number 2189', 'HSDB 5311', 'EINECS 202-612-5', 'UN2528', 'UNII-Y495J99R5D', 'BRN 1701355', 'DTXSID6026612', 'iso-butyl iso-butyrate', 'AI3-06122', 'NSC-6538', 'Isobutyl ester of 2-methylpropanoic acid', 'WE(3:0(2Me)/3:0(2Me))', 'DTXCID906612', 'FEMA 2189', 'ISOBUTYL ISOBUTYRATE [MI]', 'ISOBUTYL ISOBUTYRATE [FHFI]', '4-02-00-00847 (Beilstein Handbook Reference)', 'ISOBUTYL ISOBUTYRATE [USP-RS]', 'UN 2528', '2-METHYLPROPYL ISOBUTYRATE [HSDB]', '2-METHYLPROPIONIC ACID ISOBUTYL ESTER', 'ISOBUTYL ISOBUTYRATE (USP-RS)', 'ISOBUTYL ISOBUTYRATE, (FLAMMABLE LIQUID)', 'ISOBUTYL ISOBUTYRATE, [FLAMMABLE LIQUID]', 'Isobutyl isobutyric acid', '2Methylpropyl isobutyrate', 'Isobutyl 2methylpropanoate', '2Methylpropyl 2methylpropanoate', '2Methylpropyl 2methylpropionate', '2Methyl1propyl 2methylpropanoate', '2-Methylpropyl 2-methylpropionic acid', 'Propanoic acid, 2methyl, 2methylpropyl ester', '202-612-5', 'inchi=1/c8h16o2/c1-6(2)5-10-8(9)7(3)4/h6-7h,5h2,1-4h', 'rxguiwhiadmcfc-uhfffaoysa-n', 'Isobutyl isobutanoate', 'Isobutyl 2-methylpropanoate', 'Isobutyric acid, isobutyl ester', 'Isobutylester kyseliny isomaselne', 'FEMA No. 2189', 'NSC 6538', '2-Methyl-1-propyl 2-methylpropanoate', 'Y495J99R5D', 'Isobutylisobutyrate', 'Isobutyl isobutyrate (natural)', 'Isobutylester kyseliny isomaselne [Czech]', 'MFCD00008916', '2-Methylpropanoic acid 2-methylpropyl ester', 'SCHEMBL41548', 'Isobutyl isobutyrate [UN2528] [Flammable liquid]', 'Isobutyric Acid Isobutyl Ester', 'Isobutyl isobutyrate, >=97%', 'Isobutyl isobutyrate, >=98%', 'CHEMBL3188433', 'NSC6538', 'CHEBI:179934', 'Tox21_201573', 'LMFA07010566', 'AKOS015837515', 'Isobutyl isobutyrate, natural, >=97%', 'CAS-97-85-8', 'NCGC00249072-01', 'NCGC00259122-01', 'WLN: 1Y1 & VO1Y1 & 1', 'I0316', 'NS00009910', 'Isobutyl isobutyrate [UN2528] [Flammable liquid]', 'Q26841351', 'Isobutyl isobutyrate, United States Pharmacopeia (USP) Reference Standard'] |
From Pubchem