ChemSpider 2D Image | (1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-dimethyldecahydro-1,4,8-azulenetriol | C15H28O3

(1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-dimethyldecahydro-1,4,8-azulenetriol

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID28425501

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-dimethyldecahydro-1,4,8-azulenetriol [ACD/IUPAC Name]
(1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-diméthyldécahydro-1,4,8-azulènetriol [French] [ACD/IUPAC Name]
(1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-dimethyldecahydro-1,4,8-azulentriol [German] [ACD/IUPAC Name]
1,4,8-Azulenetriol, decahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,7S,8R,8aR)- [ACD/Index Name]
[152110-17-3] [RN]
152110-17-3 [RN]
MFCD20261061
Teuclatriol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 382.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 174.2±21.1 °C
Index of Refraction: 1.516
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.37
ACD/KOC (pH 5.5): 332.12
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.37
ACD/KOC (pH 7.4): 332.12
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 238.3±3.0 cm3

Click to predict properties on the Chemicalize site


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