Basic information
- CAS
68311-16-0- Standard SMILES
CCC(=O)C1CC2C=CCC(C)(C)C2CC1C- InChIKey
CJZNQYNYXSLJAM-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 1-Propanone, 1-(octahydro-3,5,5-trimethyl-2-naphthalenyl)-
- IUPAC
- 1-(3,5,5-trimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl)propan-1-one
- English name
- 1-(octahydro-3,5,5-trimethyl-2-naphthyl)propan-1-one
- Molecular formula
- C16H26O
- Molecular weight
- 234.37704
Names & synonyms
EINECS 269-751-11-Propanone, 1-(octahydro-3,5,5-trimethyl-2-naphthalenyl)-RefChem:43630868311-16-01-(3,5,5-trimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)propan-1-one1-(Octahydro-3,5,5-trimethyl-2-naphthyl)propan-1-oneDTXSID00987847CJZNQYNYXSLJAM-UHFFFAOYSA-NNS00120708
Database identifiers
- CAS
68311-16-0- PubChem CID
- 109302
- DTXSID
DTXSID00987847- EC Number
- 269-751-1
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanone, 1-(octahydro-3,5,5-trimethyl-2-naphthalenyl)- (68311-16-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 1-(octahydro-3,5,5-trimethyl-2-naphthalenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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