ChemSpider 2D Image | (3R,3aR,7aS)-3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-ol | C10H16O2

(3R,3aR,7aS)-3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-ol

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID30653887

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3aR,7aS)-3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-ol [German] [ACD/IUPAC Name]
(3R,3aR,7aS)-3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-ol [ACD/IUPAC Name]
(3R,3aR,7aS)-3,6-Diméthyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-ol [French] [ACD/IUPAC Name]
3-Benzofuranol, 2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-, (3R,3aR,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 262.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.0±6.0 kJ/mol
Flash Point: 108.0±21.6 °C
Index of Refraction: 1.506
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.61
ACD/KOC (pH 5.5): 313.99
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.61
ACD/KOC (pH 7.4): 313.99
Polar Surface Area: 29 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 158.4±3.0 cm3

Click to predict properties on the Chemicalize site


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