Basic information
- CAS
41436-48-0- Standard SMILES
CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C- InChIKey
WLTIDHLMFJRJHE-SCZZXKLOSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- Ethanone, 1-[(1R,2R)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, rel-
- IUPAC
- 1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
Names & synonyms
Ethanone, 1-[(1R,2R)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, rel-DTXSID00885834Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, cis-Ethanone, 1-((1R,2R)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-RefChem:592521DTXCID10102519541436-48-0SCHEMBL812572WLTIDHLMFJRJHE-SCZZXKLOSA-N1-[(1R,2R)-2,6,6-trimethylcyclohex-3-en-1-yl]ethan-1-one
Database identifiers
- CAS
41436-48-0- PubChem CID
- 170508
- DTXSID
DTXSID00885834- Nikkaji
- J415.502E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 213
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, cis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[(1R,2R)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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