2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl-
Basic information
- CAS
68856-21-3- Standard SMILES
CC1CC2C(CC1=O)C(C)(C)CCC2(C)C- InChIKey
HAPDRSVNEVCRKW-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl-
- IUPAC
- 3,5,5,8,8-pentamethyl-3,4,4a,6,7,8a-hexahydro-1H-naphthalen-2-one
- English name
- octahydro-3,5,5,8,8-pentamethylnaphthalene-2(1H)-one
- Molecular formula
- C15H26O
- Molecular weight
- 222.36634
Names & synonyms
68856-21-32(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl-EINECS 272-504-0AI3-26067DTXSID90887529Octahydro-3,5,5,8,8-pentamethyl-2(1H)-naphthalenoneNSC 163934RefChem:80444DTXCID3010268203,5,5,8,8-pentamethyl-3,4,4a,6,7,8a-hexahydro-1H-naphthalen-2-one3,5,5,8,8-pentamethyloctahydronaphthalen-2(1h)-oneNSC163934
Show more names
3,5,5,8,8-PENTAMETHYL-2-DECALONE,TECH.4,7,7,10,10-Pentamethylbicyclo[4.4.0]decan-3-one3,4,4a,5,6,7,8,8a-Octahydro-3,5,5,8,8-pentamethylnaphthalen-2(1H)-one
Octahydro-3,5,5,8,8-pentamethylnaphthalene-2(1H)-oneSCHEMBL2952708HAPDRSVNEVCRKW-UHFFFAOYSA-NAKOS024323114NSC-163934NS00061163ST504433312(1H)-Naphthalenone,5,5,8,8-pentamethyl-
Database identifiers
- CAS
68856-21-3- PubChem CID
- 99012
- DTXSID
DTXSID90887529- EC Number
- 272-504-0
- Nikkaji
- J40.469A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- EPA Substance Registry System
- 2 · 2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl- (68856-21-3)
- 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, octahydro-3,5,5,8,8-pentamethyl-
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, octahydro-3,5,5,8,8-pentamethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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