3,4-Dimethyl-6-(2-methylprop-1-en-1-yl)cyclohex-4-ene-1,2-dicarboxylic acid
3,4-dimethyl-6-(2-methylprop-1-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: CBMicro_020836|Oprea1_754889|Oprea1_833191|CCG-8757|BAS 03162513|BIM-0021090.P001|SR-01000312158-1|3,4-dimethyl-6-(2-methylprop-1-en-1-yl)cyclohex-4-ene-1,2-dicarboxylic acid|3,4-Dimethyl-6-(2-methyl-propenyl)-cyclohex-4-ene-1,2-dicarboxylic acid|3,4-dimethyl-6-(2-methylprop-1-enyl)cyclohex-4-ene-1,2-dicarboxylic acid|3,4-dimethyl-6-(2-methyl-1-propen-1-yl)-4-cyclohexene-1,2-dicarboxylic acid
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.13615 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.13615 |
| Monoisotopic Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 39776-53-9 |
|---|---|
| SMILES | CC1C(C(C(C=C1C)C=C(C)C)C(=O)O)C(=O)O |
| InChIKey | YBNXSKCLVOXLPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-6-(2-methylprop-1-en-1-yl)cyclohex-4-ene-1,2-dicarboxylic acid (CAS 39776-53-9), with molecular formula C14H20O4 and molecular weight 252.13615 g/mol. IUPAC: 3,4-dimethyl-6-(2-methylprop-1-enyl)cyclohex-4-ene-1,2-dicarboxylic acid.