Basic information
- Standard SMILES
CCC1(CC(=O)OC)CCC(c2ccccc2)CC1=O- InChIKey
XPUXWPQGDGEHDS-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- 2-Carbomethoxymethyl-2-ethyl-5-phenylcyclohexanone
- IUPAC
- methyl 2-(1-ethyl-2-oxo-4-phenylcyclohexyl)acetate
Names & synonyms
SCHEMBL9458744XPUXWPQGDGEHDS-UHFFFAOYSA-N2-Carbomethoxymethyl-2-ethyl-5-phenylcyclohexanone
Database identifiers
- PubChem CID
- 14201435
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
1 records
Compound notes
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