ChemSpider 2D Image | (3aS,4R,6S,8aS)-2-Isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-6-azulenol | C15H24O

(3aS,4R,6S,8aS)-2-Isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-6-azulenol

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID34985795

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4R,6S,8aS)-2-Isopropyliden-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-6-azulenol [German] [ACD/IUPAC Name]
(3aS,4R,6S,8aS)-2-Isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-6-azulenol [ACD/IUPAC Name]
(3aS,4R,6S,8aS)-2-Isopropylidène-4,8-diméthyl-1,2,3,3a,4,5,6,8a-octahydro-6-azulénol [French] [ACD/IUPAC Name]
6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, (3aS,4R,6S,8aS)- [ACD/Index Name]
201-949-5 [EINECS]
89-88-3 [RN]
UNII-627QG30491
Vetiverol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 322.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.4±6.0 kJ/mol
Flash Point: 132.7±17.1 °C
Index of Refraction: 1.509
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1461.77
ACD/KOC (pH 5.5): 6412.38
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1461.77
ACD/KOC (pH 7.4): 6412.38
Polar Surface Area: 20 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 228.6±3.0 cm3

Click to predict properties on the Chemicalize site


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