ChemSpider 2D Image | (1S,4E,6R,7R,8E,12E,14R)-4,8,12,15,15-Pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,7-diol | C20H32O2

(1S,4E,6R,7R,8E,12E,14R)-4,8,12,15,15-Pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,7-diol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID35517042

  • 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

(1S,4E,6R,7R,8E,12E,14R)-4,8,12,15,15-Pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6,7-diol [German] [ACD/IUPAC Name]
(1S,4E,6R,7R,8E,12E,14R)-4,8,12,15,15-Pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,7-diol [ACD/IUPAC Name]
(1S,4E,6R,7R,8E,12E,14R)-4,8,12,15,15-Pentaméthylbicyclo[12.1.0]pentadéca-4,8,12-triène-6,7-diol [French] [ACD/IUPAC Name]
Bicyclo[12.1.0]pentadeca-4,8,12-triene-6,7-diol, 4,8,12,15,15-pentamethyl-, (1S,4E,6R,7R,8E,12E,14R)- [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: 423.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 185.2±23.3 °C
Index of Refraction: 1.503
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22899.30
ACD/KOC (pH 5.5): 45956.44
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22899.28
ACD/KOC (pH 7.4): 45956.39
Polar Surface Area: 40 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

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