Basic information
- CAS
68891-95-2- Standard SMILES
CC1C(=O)CC23CC1C(C)(C)C2CCC3C- InChIKey
CHPQWDBBFXQHQC-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-
- IUPAC
- 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-one
- English name
- 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-one
- Molecular formula
- C15H24O
- Molecular weight
- 220.35046
Names & synonyms
68891-95-21H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-EINECS 272-585-2DTXSID60864443RefChem:437986DTXCID10812959Cedranone9-CedranoneCedran-9-one #SCHEMBL3503734NS00012551Q67879774
Show more names
2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-oneHexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one
2,6,6,8-Tetramethyltricyclo(5.3.1.01,5)undecan-9-one3,6,8,8-tetramethyl-hexahydro-3a,7-methano-azulen-5-one
Database identifiers
- CAS
68891-95-2- PubChem CID
- 111402
- DTXSID
DTXSID60864443- EC Number
- 272-585-2
- Nikkaji
- J332.665I
Properties
Computed structural properties
- XLogP
- 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
- 343
Physicochemical properties
- LogP
- 4.33 · 4.330 (est)
- EPA Substance Registry System
- 1 H-3a,7-Methanoazulen-5 · 1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl- (68891-95-2)
- 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 Information1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-: INACTIVE
Related reactions
1 records
Compound notes
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