Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester
Basic information
- CAS
465-27-0- Standard SMILES
Cc1ccc(CCOC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1- InChIKey
RGCMZDAAEOIYLZ-UHFFFAOYSA-N- Molecular formula
- C19H26O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18310931
Names & identifiers
- Preferred name
- Camphoric acid, 1-(p,alpha-dimethylbenzyl) ester
- IUPAC
- 2,2,3-trimethyl-3-[2-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
Names & synonyms
Camphoric acid, 1-(p,alpha-dimethylbenzyl) esterRGCMZDAAEOIYLZ-UHFFFAOYSA-NEINECS 207-362-01-(p,alpha-Dimethylbenzyl) camphorate1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 1-(1-(4-methylphenyl)ethyl) ester
Database identifiers
- CAS
465-27-0- PubChem CID
- 210324
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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