Basic information
- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OCCC#N)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
FEICGRIGYRZKCK-WHCWVIOUSA-N- Molecular formula
- C30H51NO
- Average molar mass
- 441.7 g/mol
Names & identifiers
- Preferred name
- 3-(Cholestan-3-yloxy)propanenitrile
- IUPAC
- 3-[[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propanenitrile
Names & synonyms
SCHEMBL2512050FEICGRIGYRZKCK-WHCWVIOUSA-N3-(Cholestan-3-yloxy)propanenitrile
Database identifiers
- PubChem CID
- 67434830
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 678
Related reactions
2 records
Compound notes
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