ChemSpider 2D Image | (1S,3aR,8aS)-7-Isopropyl-1-methyl-4-methylene-1,2,3,3a,4,5,6,8a-octahydro-1-azulenol | C15H24O

(1S,3aR,8aS)-7-Isopropyl-1-methyl-4-methylene-1,2,3,3a,4,5,6,8a-octahydro-1-azulenol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID34543849

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3aR,8aS)-7-Isopropyl-1-methyl-4-methylen-1,2,3,3a,4,5,6,8a-octahydro-1-azulenol [German] [ACD/IUPAC Name]
(1S,3aR,8aS)-7-Isopropyl-1-methyl-4-methylene-1,2,3,3a,4,5,6,8a-octahydro-1-azulenol [ACD/IUPAC Name]
(1S,3aR,8aS)-7-Isopropyl-1-méthyl-4-méthylène-1,2,3,3a,4,5,6,8a-octahydro-1-azulénol [French] [ACD/IUPAC Name]
1-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-1-methyl-4-methylene-7-(1-methylethyl)-, (1S,3aR,8aS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.8±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.7±6.0 kJ/mol
Flash Point: 131.2±14.3 °C
Index of Refraction: 1.513
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1150.97
ACD/KOC (pH 5.5): 5403.93
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1150.97
ACD/KOC (pH 7.4): 5403.93
Polar Surface Area: 20 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 34.3±5.0 dyne/cm
Molar Volume: 226.6±5.0 cm3

Click to predict properties on the Chemicalize site


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