5-Hexylcyclohex-4-ene-1,3-dione
Basic information
- CAS
5447-85-8- Standard SMILES
CCCCCCC1=CC(=O)CC(=O)C1- InChIKey
OHOSERCMJSAKGW-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 5-Hexylcyclohex-4-ene-1,3-dione
- IUPAC
- 5-hexylcyclohex-4-ene-1,3-dione
Names & synonyms
5447-85-85-hexylcyclohex-4-ene-1,3-dioneNSC17538DTXSID509696383-hexylcyclohex-2-ene-1,5-dioneNSC-17538DS-004848
Database identifiers
- CAS
5447-85-8- PubChem CID
- 226776
- DTXSID
DTXSID50969638
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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