Basic information
- CAS
3664-64-0- Standard SMILES
CC(=O)CC(C)CCC=C(C)C- InChIKey
IWFZTPMBJHEUFV-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 4,8-Dimethyl-7-nonen-2-one
- IUPAC
- 4,8-dimethylnon-7-en-2-one
- English name
- 4,8-Dimethyl-7-nonen-2-one
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
4,8-DIMETHYL-7-NONEN-2-ONE3664-64-0RefChem:10695944,8-dimethylnon-7-en-2-one7-Nonen-2-one, 4,8-dimethyl-SCHEMBL51362314,8-dimethyl-non-7-en-2-oneDTXSID909578974,8-Dimethyl-7-nonen-2-one #AKOS024331897
Database identifiers
- CAS
3664-64-0- PubChem CID
- 19316
- DTXSID
DTXSID90957897- Nikkaji
- J129.339G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 76 · 76-82 °C(Press: 3 Torr)
- Density
- 0.837 · 0.837±0.06 g/cm3(Predicted)
Related reactions
4 records
Compound notes
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