Basic information
- CAS
37730-46-4- Standard SMILES
CC1=CCC(C(=O)C(C)C)(C(C)CC#N)CC1- InChIKey
HJVBZLKYLVPXKA-UHFFFAOYSA-N- Molecular formula
- C15H23NO
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.17796436
Names & identifiers
- Preferred name
- 3-(1-Isobutyryl-4-methyl-3-cyclohexen-1-yl)butanenitrile
- IUPAC
- 3-[4-methyl-1-(2-methylpropanoyl)cyclohex-3-en-1-yl]butanenitrile
- English name
- 3-[1-(2-Methyl-1-oxopropyl)-4-methyl-3-cyclohexen-1-yl]butanenitrile
- Molecular formula
- C15H23NO
- Molecular weight
- 233.35
Names & synonyms
3-(1-Isobutyryl-4-methyl-3-cyclohexen-1-yl)butanenitrileDTXSID8033700837730-46-4RefChem:273205DTXCID302880963-[4-methyl-1-(2-methylpropanoyl)cyclohex-3-en-1-yl]butanenitrileHJVBZLKYLVPXKA-UHFFFAOYSA-N3-Cyclohexene-1-propanenitrile, .beta.,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-(1-Isobutyryl-4-methyl-3-cyclohexen-1-yl)butanenitrile #3-[1-(2-Methyl-1-oxopropyl)-4-methyl-3-cyclohexen-1-yl]butanenitrile3-Cyclohexene-1-propanenitrile, β,4-dimethyl-1-(2-methyl-1-oxopropyl)-
Database identifiers
- CAS
37730-46-4- PubChem CID
- 537838
- DTXSID
DTXSID80337008- Nikkaji
- J146.060I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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