Basic information
- CAS
2158-55-6- Standard SMILES
CC1CCCC(C)(C)CC1- InChIKey
GQJXBLQVJKRGPQ-UHFFFAOYSA-N- Molecular formula
- C10H20
- Average molar mass
- 140.27 g/mol
- Monoisotopic mass
- 140.15650064
Names & identifiers
- Preferred name
- 1,1,4-Trimethylcycloheptane
- IUPAC
- 1,1,4-trimethylcycloheptane
Names & synonyms
1,1,4-Trimethylcycloheptane2158-55-6Cycloheptane, 1,1,4-trimethyl-SCHEMBL597340SCHEMBL10582831SCHEMBL10798010SCHEMBL27774421DTXSID70944184
Database identifiers
- CAS
2158-55-6- PubChem CID
- 137458
- DTXSID
DTXSID70944184
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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