ChemSpider 2D Image | Methyl (5E)-7-[(1R,2S,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-heptenoate | C24H42O5

Methyl (5E)-7-[(1R,2S,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-heptenoate

  • Molecular FormulaC24H42O5
  • Average mass410.587 Da
  • Monoisotopic mass410.303223 Da
  • ChemSpider ID25992750
  • 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

(5E)-7-[(1R,2S,3R,5S)-2-(5-Cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2S,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-, methyl ester, (5E)- [ACD/Index Name]
Methyl (5E)-7-[(1R,2S,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-heptenoate [ACD/IUPAC Name]
Methyl-(5E)-7-[(1R,2S,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-heptenoat [German] [ACD/IUPAC Name]
methyl (Z)-7-[(1R,2R,3R,5S)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]hept-5-enoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 180.1±22.2 °C
Index of Refraction: 1.514
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.27
ACD/KOC (pH 5.5): 3256.61
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.27
ACD/KOC (pH 7.4): 3256.61
Polar Surface Area: 87 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 383.9±3.0 cm3

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