2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-
Basic information
- CAS
66596-41-6- Standard SMILES
O=C(/C=C/c1ccc2c(c1)OCO2)C1CCCCC1- InChIKey
IFTAGWXHSACZKP-SOFGYWHQSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-
- IUPAC
- (E)-3-(1,3-benzodioxol-5-yl)-1-cyclohexylprop-2-en-1-one
Names & synonyms
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-66596-41-6RefChem:10644103-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-2-propen-1-one
Database identifiers
- CAS
66596-41-6- PubChem CID
- 6446795
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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