ChemSpider 2D Image | (1S,2R,5R,8S,9S,11R)-2,6,6,9-Tetramethyltricyclo[5.4.0.0~2,9~]undecane-5,8,11-triol | C15H26O3

(1S,2R,5R,8S,9S,11R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID58828268
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(1S,2R,5R,8S,9S,11R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecan-5,8,11-triol [German] [ACD/IUPAC Name]
(1S,2R,5R,8S,9S,11R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecane-5,8,11-triol [ACD/IUPAC Name]
(1S,2R,5R,8S,9S,11R)-2,6,6,9-Tétraméthyltricyclo[5.4.0.02,9]undécane-5,8,11-triol [French] [ACD/IUPAC Name]
1,4-Methanoazulene-3,6,9-triol, decahydro-1,5,5,8a-tetramethyl-, (1S,3R,3aS,6R,8aR,9S)- [ACD/Index Name]
139680-63-0 [RN]
5-HYDROXYCULMORIN
UNII:4982EVY8FH

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 374.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 172.4±22.5 °C
Index of Refraction: 1.563
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.65
ACD/KOC (pH 5.5): 163.02
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.65
ACD/KOC (pH 7.4): 163.02
Polar Surface Area: 61 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 216.1±3.0 cm3

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