ChemSpider 2D Image | debilisone C | C25H38O3

debilisone C

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID25047652
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(3S,5S)-5-(Hydroxymethyl)-3-[(15E)-15-icosen-11,13-diin-1-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,5S)-5-(Hydroxymethyl)-3-[(15E)-15-icosene-11,13-diyn-1-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,5S)-5-(Hydroxyméthyl)-3-[(15E)-15-icosène-11,13-diyn-1-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
debilisone C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 561.2±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 217.3±19.0 °C
Index of Refraction: 1.503
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53430.52
ACD/KOC (pH 5.5): 84281.76
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53430.52
ACD/KOC (pH 7.4): 84281.76
Polar Surface Area: 47 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 389.7±3.0 cm3

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