ChemSpider 2D Image | 9-hydroxybisabolol oxide A | C15H26O3

9-hydroxybisabolol oxide A

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID30829894

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S)-6-[(1S,4R)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2,2,6-trimethyltetrahydro-2H-pyran-3-ol [German] [ACD/IUPAC Name]
(3S)-6-[(1S,4R)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2,2,6-trimethyltetrahydro-2H-pyran-3-ol [ACD/IUPAC Name]
(3S)-6-[(1S,4R)-4-Hydroxy-4-méthyl-2-cyclohexén-1-yl]-2,2,6-triméthyltétrahydro-2H-pyran-3-ol [French] [ACD/IUPAC Name]
2H-Pyran-3-ol, tetrahydro-6-[(1S,4R)-4-hydroxy-4-methyl-2-cyclohexen-1-yl]-2,2,6-trimethyl-, (3S)- [ACD/Index Name]
9-hydroxybisabolol oxide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 366.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.9±6.0 kJ/mol
Flash Point: 175.2±27.9 °C
Index of Refraction: 1.509
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.55
ACD/KOC (pH 5.5): 313.38
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.55
ACD/KOC (pH 7.4): 313.38
Polar Surface Area: 50 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 240.1±3.0 cm3

Click to predict properties on the Chemicalize site


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