ChemSpider 2D Image | (1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol | C10H18O

(1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol

  • Molecular FormulaC10H18O
  • Average mass154.249 Da
  • Monoisotopic mass154.135757 Da
  • ChemSpider ID30772389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol [German] [ACD/IUPAC Name]
(1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol [ACD/IUPAC Name]
(1R,3S,4S,5S)-1-Isopropyl-4-méthylbicyclo[3.1.0]hexan-3-ol [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1R,3S,4S,5S)- [ACD/Index Name]
neo-Thujan-3-ol

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 209.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.8±6.0 kJ/mol
Flash Point: 83.7±10.9 °C
Index of Refraction: 1.517
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.19
ACD/KOC (pH 5.5): 824.14
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.19
ACD/KOC (pH 7.4): 824.14
Polar Surface Area: 20 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 151.3±3.0 cm3

Click to predict properties on the Chemicalize site


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