ChemSpider 2D Image | (1R,2E,6E,9S,10E,14S)-9-Hydroxy-3,7,11,15,15-pentamethyl-5-methylenebicyclo[12.1.0]pentadeca-2,6,10-trien-4-one | C21H30O2

(1R,2E,6E,9S,10E,14S)-9-Hydroxy-3,7,11,15,15-pentamethyl-5-methylenebicyclo[12.1.0]pentadeca-2,6,10-trien-4-one

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID35517041

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2E,6E,9S,10E,14S)-9-Hydroxy-3,7,11,15,15-pentamethyl-5-methylenbicyclo[12.1.0]pentadeca-2,6,10-trien-4-on [German] [ACD/IUPAC Name]
(1R,2E,6E,9S,10E,14S)-9-Hydroxy-3,7,11,15,15-pentamethyl-5-methylenebicyclo[12.1.0]pentadeca-2,6,10-trien-4-one [ACD/IUPAC Name]
(1R,2E,6E,9S,10E,14S)-9-Hydroxy-3,7,11,15,15-pentaméthyl-5-méthylènebicyclo[12.1.0]pentadéca-2,6,10-trién-4-one [French] [ACD/IUPAC Name]
Bicyclo[12.1.0]pentadeca-2,6,10-trien-4-one, 9-hydroxy-3,7,11,15,15-pentamethyl-5-methylene-, (1R,2E,6E,9S,10E,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: 453.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 193.0±21.3 °C
Index of Refraction: 1.533
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13533.43
ACD/KOC (pH 5.5): 31539.14
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13533.43
ACD/KOC (pH 7.4): 31539.14
Polar Surface Area: 37 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 307.5±5.0 cm3

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