Basic information
- CAS
33803-57-5- Standard SMILES
O=C1CCC=C1CCCCCCCO- InChIKey
WDCKVVCOPDJIIB-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 2-(7-Hydroxyheptyl)cyclopent-2-en-1-one
- IUPAC
- 2-(7-hydroxyheptyl)cyclopent-2-en-1-one
Names & synonyms
2-(7-hydroxyheptyl)cyclopent-2-en-1-one33803-57-52-(7-hydroxyheptyl)-2-cyclopenten-1-oneSCHEMBL11242132DTXSID60608460WDCKVVCOPDJIIB-UHFFFAOYSA-N2-(7-Hydroxyheptyl)-2-cyclopentenone2-(7-hydroxyheptyl)cyclopent-2-enone2-(7-hydroxyheptyl)-cyclopent-2-enone
Database identifiers
- CAS
33803-57-5- PubChem CID
- 20535488
- DTXSID
DTXSID60608460
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
20 records
Compound notes
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