2,2,3-Trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentane-1-carboxylic acid
Basic information
- CAS
465-27-0- Standard SMILES
Cc1ccc(C(C)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1- InChIKey
KRWZVKRKTWCYPR-UHFFFAOYSA-N- Molecular formula
- C19H26O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18310931
Names & identifiers
- Preferred name
- 2,2,3-Trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentane-1-carboxylic acid
- IUPAC
- 2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
Names & synonyms
465-27-0CHEMBL2110648DTXSID50276874KRWZVKRKTWCYPR-UHFFFAOYSA-N1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid 1-[1-(4-methylphenyl)ethyl] ester2,2,3-trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentane-1-carboxylic acidNS00044168
Database identifiers
- CAS
465-27-0- PubChem CID
- 21854
- DTXSID
DTXSID50276874- ChEMBL
CHEMBL2110648- EC Number
- 207-362-0
- Nikkaji
- J196.185C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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