ChemSpider 2D Image | (1R,3R,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane | C10H18

(1R,3R,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane

  • Molecular FormulaC10H18
  • Average mass138.250 Da
  • Monoisotopic mass138.140854 Da
  • ChemSpider ID61711057

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3R,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptan [German] [ACD/IUPAC Name]
(1R,3R,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane [ACD/IUPAC Name]
(1R,3R,6S)-3,7,7-Triméthylbicyclo[4.1.0]heptane [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1R,3R,6S)- [ACD/Index Name]
(+)-3-Carene
3V4

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

Density: 0.8±0.1 g/cm3
Boiling Point: 169.0±0.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 38.9±0.8 kJ/mol
Flash Point: 36.0±11.7 °C
Index of Refraction: 1.455
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1140.43
ACD/KOC (pH 5.5): 5368.44
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1140.43
ACD/KOC (pH 7.4): 5368.44
Polar Surface Area: 0 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 163.6±3.0 cm3

Click to predict properties on the Chemicalize site


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