ChemSpider 2D Image | (1S,2S,6S,9S,11R)-6-(Hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.0~2,9~]undecane-8,11-diol | C15H26O3

(1S,2S,6S,9S,11R)-6-(Hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78442700

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2S,6S,9S,11R)-6-(Hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-8,11-diol [German] [ACD/IUPAC Name]
(1S,2S,6S,9S,11R)-6-(Hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol [ACD/IUPAC Name]
(1S,2S,6S,9S,11R)-6-(Hydroxyméthyl)-2,6,9-triméthyltricyclo[5.4.0.02,9]undécane-8,11-diol [French] [ACD/IUPAC Name]
1,4-Methanoazulene-3,9-diol, decahydro-5-(hydroxymethyl)-1,5,8a-trimethyl-, (1S,3R,3aS,5S,8aS)- [ACD/Index Name]
15-hydroxyculmorin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 381.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 176.1±18.3 °C
Index of Refraction: 1.557
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.37
ACD/KOC (pH 5.5): 172.63
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 172.63
Polar Surface Area: 61 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 217.7±3.0 cm3

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