ChemSpider 2D Image | (1R,2E,5E,9E,14S)-7,11-Dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5,9-trien-4-one | C20H30O3

(1R,2E,5E,9E,14S)-7,11-Dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5,9-trien-4-one

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID35517045

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,2E,5E,9E,14S)-7,11-Dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5,9-trien-4-on [German] [ACD/IUPAC Name]
(1R,2E,5E,9E,14S)-7,11-Dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5,9-trien-4-one [ACD/IUPAC Name]
(1R,2E,5E,9E,14S)-7,11-Dihydroxy-3,7,11,15,15-pentaméthylbicyclo[12.1.0]pentadéca-2,5,9-trién-4-one [French] [ACD/IUPAC Name]
Bicyclo[12.1.0]pentadeca-2,5,9-trien-4-one, 7,11-dihydroxy-3,7,11,15,15-pentamethyl-, (1R,2E,5E,9E,14S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 465.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 249.3±25.2 °C
Index of Refraction: 1.508
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 947.87
ACD/KOC (pH 5.5): 4702.79
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 947.87
ACD/KOC (pH 7.4): 4702.79
Polar Surface Area: 58 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

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