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

(1R,2E,5E,7R,11R,14S)-7-Hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5-diene-4,9-dione

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID35517044

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2E,5E,7R,11R,14S)-7-Hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5-dien-4,9-dion [German] [ACD/IUPAC Name]
(1R,2E,5E,7R,11R,14S)-7-Hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,5-diene-4,9-dione [ACD/IUPAC Name]
(1R,2E,5E,7R,11R,14S)-7-Hydroxy-3,7,11,15,15-pentaméthylbicyclo[12.1.0]pentadéca-2,5-diène-4,9-dione [French] [ACD/IUPAC Name]
Bicyclo[12.1.0]pentadeca-2,5-diene-4,9-dione, 7-hydroxy-3,7,11,15,15-pentamethyl-, (1R,2E,5E,7R,11R,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: 460.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 246.3±25.2 °C
Index of Refraction: 1.487
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 958.46
ACD/KOC (pH 5.5): 4740.34
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 958.45
ACD/KOC (pH 7.4): 4740.33
Polar Surface Area: 54 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

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