ChemSpider 2D Image | comosone A | C16H24O2

comosone A

  • Molecular FormulaC16H24O2
  • Average mass248.361 Da
  • Monoisotopic mass248.177628 Da
  • ChemSpider ID26344050

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-4-Hydroxy-6,6-bis(3-methyl-2-buten-1-yl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-6,6-bis(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R)-4-Hydroxy-6,6-bis(3-méthyl-2-butén-1-yl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-hydroxy-6,6-bis(3-methyl-2-buten-1-yl)-, (4R)- [ACD/Index Name]
comosone A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 370.6±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 158.2±20.2 °C
Index of Refraction: 1.507
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.68
ACD/KOC (pH 5.5): 2805.87
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.68
ACD/KOC (pH 7.4): 2805.87
Polar Surface Area: 37 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

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