ChemSpider 2D Image | Preisocalamendiol | C15H24O

Preisocalamendiol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID28426483
  • 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

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

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

    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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