ChemSpider 2D Image | 8(17),13-Labdadien-15,16-olide | C20H30O2

8(17),13-Labdadien-15,16-olide

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID28424482

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]- [ACD/Index Name]
4-{2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylendecahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
4-{2-[(1S,4aS,8aS)-5,5,8a-Triméthyl-2-méthylènedécahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
4-{2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
8(17),13-Labdadien-15,16-olide
83324-51-0 [RN]
[83324-51-0] [RN]
labda-8(17),13(14)-dien-15,16-olide
MFCD20260733

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

Density: 1.0±0.1 g/cm3
Boiling Point: 423.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 178.8±17.5 °C
Index of Refraction: 1.520
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7091.57
ACD/KOC (pH 5.5): 19858.78
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7091.57
ACD/KOC (pH 7.4): 19858.78
Polar Surface Area: 26 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 294.6±5.0 cm3

Click to predict properties on the Chemicalize site


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