ChemSpider 2D Image | (2E)-5-[(1R,2S,3S,4S,6S)-2,3-Dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl]-2-methyl-2-penten-1-yl butyrate | C19H30O2

(2E)-5-[(1R,2S,3S,4S,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-yl butyrate

  • Molecular FormulaC19H30O2
  • Average mass290.440 Da
  • Monoisotopic mass290.224579 Da
  • ChemSpider ID79952504

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2E)-5-[(1R,2S,3S,4S,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-yl butyrate [ACD/IUPAC Name]
(2E)-5-[(1R,2S,3S,4S,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (2E)-5-[(1R,3S,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-2-penten-1-yl ester [ACD/Index Name]
Butyrate de (2E)-5-[(1R,2S,3S,4S,6S)-2,3-diméthyltricyclo[2.2.1.02,6]hept-3-yl]-2-méthyl-2-pentén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 357.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 106.7±17.6 °C
Index of Refraction: 1.511
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26167.68
ACD/KOC (pH 5.5): 50561.64
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26167.68
ACD/KOC (pH 7.4): 50561.64
Polar Surface Area: 26 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

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