Basic information
- Standard SMILES
COC=C1CCC(c2ccc(C#N)cc2)CC1- InChIKey
QYLGTCULRPATII-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- p-[4-(Methoxymethylene)cyclohexyl]benzonitrile
- IUPAC
- 4-[4-(methoxymethylidene)cyclohexyl]benzonitrile
Names & synonyms
SCHEMBL9458154QYLGTCULRPATII-UHFFFAOYSA-NAKOS015962614DB-138089p-[4-(methoxymethylene)cyclohexyl]benzonitrilep-[4-(metoxymethylene)cyclohexyl]benzonitrile4-[4-(Methoxymethylene)cyclohexyl]benzonitrilep-[4-(methoxymethylidene)cyclohexyl]benzonitrile95925-52-3
Database identifiers
- PubChem CID
- 19739357
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
19 records
Linked notes
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