Basic information
- Standard SMILES
COC(=O)C(C)(CC1CCCC1)c1ccccc1- InChIKey
NTKBCQORCTVNIC-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
Names & identifiers
- Preferred name
- Methyl 3-cyclopentyl-2-methyl-2-phenylpropanoate
- IUPAC
- methyl 3-cyclopentyl-2-methyl-2-phenylpropanoate
Names & synonyms
SCHEMBL4002032NTKBCQORCTVNIC-UHFFFAOYSA-Nmethyl 3-cyclopentyl-2-methyl-2-phenylpropanoate
Database identifiers
- PubChem CID
- 68872602
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
3 records
Compound notes
Loading…