Cyclohexanemethanol, alpha-(2-(1,3-benzodioxol-5-yl)ethenyl)-
Basic information
- CAS
66596-52-9- Standard SMILES
OC(/C=C/c1ccc2c(c1)OCO2)C1CCCCC1- InChIKey
FEBSUECCSVLRLO-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- Cyclohexanemethanol, alpha-(2-(1,3-benzodioxol-5-yl)ethenyl)-
- IUPAC
- (E)-3-(1,3-benzodioxol-5-yl)-1-cyclohexylprop-2-en-1-ol
- English name
- 1-Cyclohexyl-3-(3,4-methylenedioxyphenyl)-2-propen-1-ol
- Molecular formula
- C16H20O3
- Molecular weight
- 260.33
Names & synonyms
66596-52-9Cyclohexanemethanol, alpha-(2-(1,3-benzodioxol-5-yl)ethenyl)-RefChem:1082529BRN 13183031-Cyclohexyl-3-(3,4-methylenedioxyphenyl)-2-propen-1-ol2-Propen-1-ol, 1-cyclohexyl-3-(3,4-methylenedioxyphenyl)-Cyclohexanemethanol, α-[2-(1,3-benzodioxol-5-yl)ethenyl]-
Database identifiers
- CAS
66596-52-9- PubChem CID
- 6446802
- Nikkaji
- J87.377B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 424.1 · 424.1±14.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.20(Predicted)
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Compound notes
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