ChemSpider 2D Image | JH I | C18H30O3

JH I

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID21468809
  • 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

(2E,6E)-7-Éthyl-9-[(2S,3R)-3-éthyl-3-méthyl-2-oxiranyl]-3-méthyl-2,6-nonadiénoate de méthyle [French] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 7-ethyl-9-[(2S,3R)-3-ethyl-3-methyloxiranyl]-3-methyl-, methyl ester, (2E,6E)- [ACD/Index Name]
JH I
Methyl (2E,6E)-7-ethyl-9-[(2S,3R)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoate [ACD/IUPAC Name]
Methyl-(2E,6E)-7-ethyl-9-[(2S,3R)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 379.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 159.3±17.8 °C
Index of Refraction: 1.471
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2093.24
ACD/KOC (pH 5.5): 8291.61
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2093.24
ACD/KOC (pH 7.4): 8291.61
Polar Surface Area: 39 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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