ChemSpider 2D Image | (-)-delta-cadinene | C15H24

(-)-δ-cadinene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID26606388

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(-)-δ-cadinene
(1R,8aS)-1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
(1R,8aS)-1-Isopropyl-4,7-diméthyl-1,2,3,5,6,8a-hexahydronaphtalène [French] [ACD/IUPAC Name]
(1R,8aS)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene [ACD/IUPAC Name]
(1R,8aS)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalin [German] [ACD/IUPAC Name]
13061-82-0 [RN]
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,8aS)- [ACD/Index Name]
(-)-&δ;-cadinene
(1R,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene
(1R,8aS)-4,7-dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthalene

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

CHEBI:63703 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is <stereo>cis</stereo> to the hyd rogen at the adjacent bridgehead carbon (the 1<stereo>R</stereo>,8a<stereo>S</stereo>-enantiomer). ChEBI CHEBI:63703
      A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hyd; rogen at the ad jacent bridgehead carbon (the 1R,8aS-enantiomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63703
      A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adja cent bridgehead carbon (the 1R,8aS-enantiomer). ChEBI CHEBI:63703

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

Density: 0.9±0.1 g/cm3
Boiling Point: 279.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.8±0.8 kJ/mol
Flash Point: 110.5±15.2 °C
Index of Refraction: 1.499
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17594.85
ACD/KOC (pH 5.5): 38056.94
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17594.85
ACD/KOC (pH 7.4): 38056.94
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 226.5±5.0 cm3

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