2,6-Dimethyl-2-hepten-4-one
Basic information
- CAS
16525-05-6- Standard SMILES
CC(C)=CC(=O)CC(C)C- InChIKey
BHVIOAZXXVWBGQ-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,6-Dimethyl-2-hepten-4-one
- IUPAC
- 2,6-dimethylhept-2-en-4-one
Names & synonyms
2,6-DIMETHYL-2-HEPTEN-4-ONE16525-05-6DTXSID30167872RefChem:248459DTXCID70903632,6-dimethylhept-2-en-4-oneSCHEMBL2220485AKOS017742065
Database identifiers
- CAS
16525-05-6- PubChem CID
- 27906
- DTXSID
DTXSID30167872- Nikkaji
- J1.550.685G
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 139
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Compound notes
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