Basic information
- CAS
72927-89-0- Standard SMILES
CC1(C)CC2C(=CCCC2(C)C)CC1=O- InChIKey
MNMIFQQWGUTOBE-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethyl-
- IUPAC
- 3,3,5,5-tetramethyl-4,4a,6,7-tetrahydro-1H-naphthalen-2-one
- English name
- 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
72927-89-0EINECS 277-030-82(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethyl-DTXSID40888203RefChem:439759DTXCID1010274843,3,5,5-tetramethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1h)-oneMNMIFQQWGUTOBE-UHFFFAOYSA-N3,4,4a,5,6,7-Hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-oneNS000616383,4,4a,5,6,7-Hexahydro-3,3,5,5-tetramethylnaphthalen-2(1H)-one
Database identifiers
- CAS
72927-89-0- PubChem CID
- 166358
- DTXSID
DTXSID40888203- EC Number
- 277-030-8
- Nikkaji
- J318.895G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- EPA Substance Registry System
- 2 · 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethyl- (72927-89-0)
- 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.
Hazard information
Regulatory InformationChemical: 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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