ChemSpider 2D Image | beta-copaene | C15H24

β-copaene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID28184684

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decane [ACD/IUPAC Name]
(1S,6S,7S,8S)-8-Isopropyl-1-méthyl-3-méthylènetricyclo[4.4.0.02,7]décane [French] [ACD/IUPAC Name]
(1S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylentricyclo[4.4.0.02,7]decan [German] [ACD/IUPAC Name]
Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1S,6S,7S,8S)- [ACD/Index Name]
β-copaene
&β;-copaene
(1S,6S,7S,8S)-1-methyl-3-methylene-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]decane
(1S,6S,7S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.02,7]decane
(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylenetricyclo[4.4.0.0(2,7)]decane
  • Miscellaneous

    • Chemical Class:

      A sesquiterpene that is tricyclo[4.4.0.0(2,7)]decane bearing methyl, isopropyl and methylene substituents at positions 1, 8 and 3 respectively (the 1S,6S,7S,8S-diastereomer) ChEBI CHEBI:64799
      A sesquiterpene that is tricyclo[4.4.0.0<smallsup>2,7</smallsup>]decane bearing methyl, isopropyl and methylene substituents at positions 1, 8 and 3 respectively (the 1<stereo>S</stereo>,6<stereo>S</s tereo>,7<stereo>S</stereo>,8<stereo>S</stereo>-diastereomer) ChEBI CHEBI:64799
      A sesquiterpene that is tricyclo[4.4.0.02,7]decane bearing methyl, isopropyl and methylene substituents at positions 1, 8 and 3 respectively (the 1S,6S,7S,8S-diastereomer) ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64799

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

Density: 0.9±0.1 g/cm3
Boiling Point: 255.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.3±0.8 kJ/mol
Flash Point: 104.9±5.8 °C
Index of Refraction: 1.505
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18777.31
ACD/KOC (pH 5.5): 39870.64
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18777.31
ACD/KOC (pH 7.4): 39870.64
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 30.7±5.0 dyne/cm
Molar Volume: 218.3±5.0 cm3

Click to predict properties on the Chemicalize site


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