Basic information
- CAS
106349-35-3- Standard SMILES
CCCC1CCC(C2CCC(C#N)CC2)C(C)C1- InChIKey
RKTMJKSCHRUIOW-UHFFFAOYSA-N- Molecular formula
- C17H29N
- Average molar mass
- 247.4 g/mol
- Monoisotopic mass
- 247.22999993
Names & identifiers
- Preferred name
- 2'-Methyl-4'-propyl[1,1'-bi(cyclohexane)]-4-carbonitrile
- IUPAC
- 4-(2-methyl-4-propylcyclohexyl)cyclohexane-1-carbonitrile
Names & synonyms
106349-35-3SCHEMBL10550200SCHEMBL10550208DTXSID406018382'-Methyl-4'-propyl[1,1'-bi(cyclohexane)]-4-carbonitrile
Database identifiers
- CAS
106349-35-3- PubChem CID
- 20032593
- DTXSID
DTXSID40601838
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…