ChemSpider 2D Image | Dolatriol | C20H32O3

Dolatriol

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID26286039
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,3aR,4aS,8aS,9R)-1-Isopropyl-3a,8a-dimethyl-5-methylen-2,3,3a,4,5,6,7,8,8a,9-decahydrobenzo[f]azulen-1,4a,9(1H)-triol [German] [ACD/IUPAC Name]
(1S,3aR,4aS,8aS,9R)-1-Isopropyl-3a,8a-dimethyl-5-methylene-2,3,3a,4,5,6,7,8,8a,9-decahydrobenzo[f]azulene-1,4a,9(1H)-triol [ACD/IUPAC Name]
(1S,3aR,4aS,8aS,9R)-1-Isopropyl-3a,8a-diméthyl-5-méthylène-2,3,3a,4,5,6,7,8,8a,9-décahydrobenzo[f]azulène-1,4a,9(1H)-triol [French] [ACD/IUPAC Name]
Benz[f]azulene-1,4a,9(1H)-triol, 2,3,3a,4,5,6,7,8,8a,9-decahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethyl)-, (1S,3aR,4aS,8aS,9R)- [ACD/Index Name]
Dolatriol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 205.4±23.3 °C
Index of Refraction: 1.562
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.88
ACD/KOC (pH 5.5): 1721.84
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.88
ACD/KOC (pH 7.4): 1721.84
Polar Surface Area: 61 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

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