2(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl-
Basic information
- CAS
72928-13-3- Standard SMILES
CC1(C)CC2=C(CCCC2(C)C)CC1=O- InChIKey
APWZTNHOEIXMIH-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl-
- IUPAC
- 3,3,5,5-tetramethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-one
- English name
- 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32388
Names & synonyms
72928-13-3EINECS 277-052-82(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl-DTXSID208883073,4,5,6,7,8-Hexahydro-3,3,5,5-tetramethyl-2(1H)naphthaloneRefChem:439760DTXCID7010275873,3,5,5-tetramethyl-3,4,5,6,7,8-hexahydronaphthalen-2(1h)-oneAPWZTNHOEIXMIH-UHFFFAOYSA-N3,4,5,6,7,8-Hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-oneNS000599923,4,5,6,7,8-Hexahydro-3,3,5,5-tetramethyl-2(1H)-naphthalenone
Show more names
2(1H)-Naphthalenone,3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl-
Database identifiers
- CAS
72928-13-3- PubChem CID
- 166363
- DTXSID
DTXSID20888307- EC Number
- 277-052-8
- Nikkaji
- J296.392B
Properties
Computed structural properties
- XLogP
- 3
- 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
- 331
Physicochemical properties
- EPA Substance Registry System
- 2 · 2(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl- (72928-13-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Naphthalenone, 3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethyl-: INACTIVE
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Related reactions
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Compound notes
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