Basic information
- Standard SMILES
O=C1CC(=O)OC(CCc2ccccc2)(C2CCCC2)C1- InChIKey
POYOOAMAMWBHCX-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopentyl-6-phenethyl-tetrahydropyran-2,4-dione
- IUPAC
- 6-cyclopentyl-6-(2-phenylethyl)oxane-2,4-dione
Names & synonyms
CHEMBL214680SCHEMBL5880848BDBM501909596-cyclopentyl-6-phenethyl-tetrahydropyran-2,4-dione6-cyclopentyl-6-phenethyl-dihydro-3H-pyran-2,4-dione
Database identifiers
- PubChem CID
- 16076101
- ChEMBL
CHEMBL214680
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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