ChemSpider 2D Image | (1R,2S,4S,5R,9S,10S,13R)-5-(Hydroxymethyl)-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-2,5-diol | C19H30O3

(1R,2S,4S,5R,9S,10S,13R)-5-(Hydroxymethyl)-9-methyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,5-diol

  • Molecular FormulaC19H30O3
  • Average mass306.440 Da
  • Monoisotopic mass306.219482 Da
  • ChemSpider ID31147847

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,4S,5R,9S,10S,13R)-5-(Hydroxymethyl)-9-methyl-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,5-diol [ACD/IUPAC Name]
(1R,2S,4S,5R,9S,10S,13R)-5-(Hydroxyméthyl)-9-méthyl-14-méthylènetétracyclo[11.2.1.01,10.04,9]hexadécane-2,5-diol [French] [ACD/IUPAC Name]
(1R,2S,4S,5R,9S,10S,13R)-5-(Hydroxymethyl)-9-methyl-14-methylentetracyclo[11.2.1.01,10.04,9]hexadecan-2,5-diol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.2±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: 213.3±23.3 °C
Index of Refraction: 1.583
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.49
ACD/KOC (pH 5.5): 1193.08
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.49
ACD/KOC (pH 7.4): 1193.08
Polar Surface Area: 61 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 257.2±5.0 cm3

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