(E,Z)-1-(6-Ethylidene-2,2-dimethylcyclohexyl)-2-buten-1-one
Basic information
- CAS
57935-00-9- Standard SMILES
C/C=C\C(=O)C1/C(=C\C)CCCC1(C)C- InChIKey
SGYVCFIGWBOWST-IGJCCDITSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- (E,Z)-1-(6-Ethylidene-2,2-dimethylcyclohexyl)-2-buten-1-one
- IUPAC
- (Z)-1-[(6Z)-6-ethylidene-2,2-dimethylcyclohexyl]but-2-en-1-one
Names & synonyms
(E,Z)-1-(6-Ethylidene-2,2-dimethylcyclohexyl)-2-buten-1-oneEINECS 261-023-1
Database identifiers
- CAS
57935-00-9- PubChem CID
- 6436693
- EC Number
- 261-023-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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