ChemSpider 2D Image | Chrysanthetriol | C15H26O3

Chrysanthetriol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID30791618

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5S,9R)-9-(2-Hydroxy-2-propanyl)-2,6-bis(methylene)-1,5-cyclodecanediol [ACD/IUPAC Name]
(1S,5S,9R)-9-(2-Hydroxy-2-propanyl)-2,6-dimethylen-1,5-cyclodecandiol [German] [ACD/IUPAC Name]
(1S,5S,9R)-9-(2-Hydroxy-2-propanyl)-2,6-diméthylène-1,5-cyclodécanediol [French] [ACD/IUPAC Name]
1,5-Cyclodecanediol, 9-(1-hydroxy-1-methylethyl)-2,6-bis(methylene)-, (1S,5S,9R)- [ACD/Index Name]
Chrysanthetriol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 406.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.0±6.0 kJ/mol
Flash Point: 187.3±23.3 °C
Index of Refraction: 1.515
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.83
ACD/KOC (pH 5.5): 216.20
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.83
ACD/KOC (pH 7.4): 216.20
Polar Surface Area: 61 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 242.2±5.0 cm3

Click to predict properties on the Chemicalize site


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