ChemSpider 2D Image | (1S,2E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene | C15H24

(1S,2E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID24712372

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene [ACD/IUPAC Name]
(1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-dien [German] [ACD/IUPAC Name]
(1S,2E,6E,10R)-3,7,11,11-Tétraméthylbicyclo[8.1.0]undéca-2,6-diène [French] [ACD/IUPAC Name]
24703-35-3 [RN]
Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (1S,2E,6E,10R)- [ACD/Index Name]
Bicyclogermacrene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509566/

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

CHEBI:63709 [DBID]
  • Miscellaneous

    • Chemical Class:

      A sesquiterpene derived from germacrane by dehydrogenation across the C(1)<bond>1</bond>C(10) and C(4)<bond>1</bond>C(5) bonds and cyclisation across the C(8)<bond>1</bond>C(9) bond. ChEBI CHEBI:63709
      A sesquiterpene derived from germacrane by dehydrogenation across the C(1)-C(10) and C(4)-C(5) bonds and cyclisation across the C(8)-C(9) bond. ChEBI CHEBI:63709

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

Density: 0.9±0.1 g/cm3
Boiling Point: 267.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.5±0.8 kJ/mol
Flash Point: 104.6±16.6 °C
Index of Refraction: 1.475
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37338.30
ACD/KOC (pH 5.5): 65212.60
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37338.30
ACD/KOC (pH 7.4): 65212.60
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 237.1±3.0 cm3

Click to predict properties on the Chemicalize site


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