2,6-Dimethylhept-4-en-3-one
Basic information
- CAS
56259-14-4- Standard SMILES
CC(C)C=CC(=O)C(C)C- InChIKey
FXHCGFPVKLZHCE-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,6-Dimethylhept-4-en-3-one
- IUPAC
- 2,6-dimethylhept-4-en-3-one
- English name
- 2,6-Dimethyl-4-hepten-3-one
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,6-Dimethyl-4-hepten-3-one2,6-dimethylhept-4-en-3-oneSCHEMBL28896411DTXSID50971690DB-2395744-Hepten-3-one, 2,6-dimethyl-
Database identifiers
- CAS
56259-14-4- PubChem CID
- 92080
- DTXSID
DTXSID50971690
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 68 · 68-74 °C(Press: 16 Torr)
- Density
- 0.8788 g/cm3 · 0.8788 g/cm3(Temp: 12 °C)
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Related reactions
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Compound notes
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