4,8,8-Trimethyldecahydro-1,2,4-(methanetriyl)azulene
Basic information
- CAS
31222-51-2- Standard SMILES
CC1(C)CCCC2(C)C3CC4C(C31)C42- InChIKey
GODSUTFXUXKQCB-UHFFFAOYSA-N- Molecular formula
- C14H22
- Average molar mass
- 190.32 g/mol
- Monoisotopic mass
- 190.1721507
Names & identifiers
- Preferred name
- 4,8,8-Trimethyldecahydro-1,2,4-(methanetriyl)azulene
- IUPAC
- 2,6,6-trimethyltetracyclo[5.4.0.02,9.08,10]undecane
Names & synonyms
31222-51-24,8,8-trimethyldecahydro-1,2,4-(methanetriyl)azuleneNSC150811DTXSID00302399NSC-150811
Database identifiers
- CAS
31222-51-2- PubChem CID
- 289154
- DTXSID
DTXSID00302399
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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