ChemSpider 2D Image | (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane | C10H18

(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane

  • Molecular FormulaC10H18
  • Average mass138.250 Da
  • Monoisotopic mass138.140854 Da
  • ChemSpider ID22842248
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan [German] [ACD/IUPAC Name]
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane [ACD/IUPAC Name]
(1S,5S)-2,6,6-Triméthylbicyclo[3.1.1]heptane [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1S,5S)- [ACD/Index Name]
(1R)-(+)-cis-Pinane
1195231-50-5 [RN]
4795-86-2 [RN]
cis-pinane
MFCD00078047 [MDL number]
Pinane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 157.0±7.0 °C at 760 mmHg
Vapour Pressure: 3.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.8±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): 4.17
ACD/BCF (pH 5.5): 870.15
ACD/KOC (pH 5.5): 4423.45
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 870.15
ACD/KOC (pH 7.4): 4423.45
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

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