Ethyl 3-methyl-1-cyanocyclohexanecarboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)C1(C#N)CCCC(C)C1- InChIKey
PHRFQPUPBXMJBD-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-methyl-1-cyanocyclohexanecarboxylate
- IUPAC
- ethyl 1-cyano-3-methylcyclohexane-1-carboxylate
Names & synonyms
SCHEMBL9606533PHRFQPUPBXMJBD-UHFFFAOYSA-Nethyl 3-methyl-1-cyanocyclohexanecarboxylate
Database identifiers
- PubChem CID
- 20032648
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…