ChemSpider 2D Image | 8-{(2R,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoic acid | C18H32O3

8-{(2R,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoic acid

  • Molecular FormulaC18H32O3
  • Average mass296.445 Da
  • Monoisotopic mass296.235138 Da
  • ChemSpider ID26323998
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (2R,3R)- [ACD/Index Name]
8-{(2R,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octanoic acid [ACD/IUPAC Name]
8-{(2R,3R)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}octansäure [German] [ACD/IUPAC Name]
Acide 8-{(2R,3R)-3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoïque [French] [ACD/IUPAC Name]
(±)-CIS-12,13-EPOXY-9(Z)-OCTADECENOIC ACID
(±)-CIS-9,10-EPOXY-12(Z)-OCTADECENOIC ACID

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

Density: 1.0±0.1 g/cm3
Boiling Point: 422.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 141.9±14.7 °C
Index of Refraction: 1.479
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1352.35
ACD/KOC (pH 5.5): 3598.22
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 21.69
ACD/KOC (pH 7.4): 57.70
Polar Surface Area: 50 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 305.7±3.0 cm3

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