ChemSpider 2D Image | (+)-Preisocalamenediol | C15H24O

(+)-Preisocalamenediol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID26629119
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(+)-Preisocalamenediol
(2S,5E)-2-Isopropyl-5-methyl-9-methylen-5-cyclodecen-1-on [German] [ACD/IUPAC Name]
(2S,5E)-2-Isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one [ACD/IUPAC Name]
(2S,5E)-2-Isopropyl-5-méthyl-9-méthylène-5-cyclodécén-1-one [French] [ACD/IUPAC Name]
5-Cyclodecen-1-one, 5-methyl-9-methylene-2-(1-methylethyl)-, (2S,5E)- [ACD/Index Name]
[25645-19-6]
25645-19-6 [RN]
MFCD20261015
Preisocalamendiol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 315.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 129.9±22.6 °C
Index of Refraction: 1.476
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1871.11
ACD/KOC (pH 5.5): 7651.85
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1871.11
ACD/KOC (pH 7.4): 7651.85
Polar Surface Area: 17 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 30.2±5.0 dyne/cm
Molar Volume: 243.9±5.0 cm3

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