Methyl 2-cyano-2-(cyclohex-1-enyl)butyrate
Basic information
- CAS
84714-19-2- Standard SMILES
CCC(C#N)(C(=O)OC)C1=CCCCC1- InChIKey
KGBFLLOSBDSYPN-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Methyl 2-cyano-2-(cyclohex-1-enyl)butyrate
- IUPAC
- methyl 2-cyano-2-(cyclohexen-1-yl)butanoate
- English name
- methyl 2-cyano-2-(cyclohex-1-enyl)butyrate
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.26888
Names & synonyms
Methyl 2-cyano-2-(cyclohex-1-enyl)butyrate84714-19-2EINECS 283-813-5METHYL 2-CYANO-2-(CYCLOHEX-1-EN-1-YL)BUTANOATEKGBFLLOSBDSYPN-UHFFFAOYSA-NDTXSID101005024NS00059615α-Cyano-α-ethyl-1-cyclohexene-1-acetic acid methyl ester
Database identifiers
- CAS
84714-19-2- PubChem CID
- 3020101
- DTXSID
DTXSID101005024- EC Number
- 283-813-5
- Nikkaji
- J309.115E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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