4-(2,6-Dimethylcyclohexyl)butan-2-one
Basic information
- CAS
63307-60-8- Standard SMILES
CC(=O)CCC1C(C)CCCC1C- InChIKey
IDOOZJDBFKJMEF-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 4-(2,6-Dimethylcyclohexyl)butan-2-one
- IUPAC
- 4-(2,6-dimethylcyclohexyl)butan-2-one
Names & synonyms
4-(2,6-Dimethylcyclohexyl)butan-2-one63307-60-8DTXSID90338627RefChem:286949DTXCID80289710IDOOZJDBFKJMEF-UHFFFAOYSA-NSCHEMBL177722314-(2,6-Dimethylcyclohexyl)-2-butanone #
Database identifiers
- CAS
63307-60-8- PubChem CID
- 550294
- DTXSID
DTXSID90338627
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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