ChemSpider 2D Image | (1R,4R,5S)-guaia-6,10(14)-diene | C15H24

(1R,4R,5S)-guaia-6,10(14)-diene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID58828719

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3aR,8aS)-7-Isopropyl-1-methyl-4-methylen-1,2,3,3a,4,5,6,8a-octahydroazulen [German] [ACD/IUPAC Name]
(1R,3aR,8aS)-7-Isopropyl-1-methyl-4-methylene-1,2,3,3a,4,5,6,8a-octahydroazulene [ACD/IUPAC Name]
(1R,3aR,8aS)-7-Isopropyl-1-méthyl-4-méthylène-1,2,3,3a,4,5,6,8a-octahydroazulène [French] [ACD/IUPAC Name]
(1R,4R,5S)-guaia-6,10(14)-diene
Azulene, 1,2,3,3a,4,5,6,8a-octahydro-1-methyl-4-methylene-7-(1-methylethyl)-, (1R,3aR,8aS)- [ACD/Index Name]
(-)-guaia-6,10(14)-diene
(1R,3aR,8aS)-1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulene
(1R,4R,5S)-(-)-guaia-6,10(14)-diene
Guaia-6,10(14)-diene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 276.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.4±0.8 kJ/mol
Flash Point: 108.9±15.2 °C
Index of Refraction: 1.492
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: 6.63
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10792.68
ACD/KOC (pH 5.5): 26822.73
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10792.68
ACD/KOC (pH 7.4): 26822.73
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.2±5.0 dyne/cm
Molar Volume: 229.3±5.0 cm3

Click to predict properties on the Chemicalize site


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