1-butyl-4-methylcyclohexane-1-carbonitrile
Structure Info
- Chemspace ID
- CSMB00012269256 (Enamine MADE)
- MFCD
- MFCD21197132, MFCD21197132
- IUPAC Name
- 1-butyl-4-methylcyclohexane-1-carbonitrile
- Mol formula
- C12H21N
- Mol weight
- 179 Da
- Catalog Number(s)
- AKOS014714746, BBV-39894230, CSC012269256, FCH5797981
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.12
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.91666666666667
- Polar surface area (Å)
- 24
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012269256
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