ChemSpider 2D Image | 8-[(2S,3R)-3-[(2Z)-(2,3-~2~H_2_)-2-Octen-1-yl](~2~H_2_)-2-oxiranyl]octanoic acid | C18H28D4O3

8-[(2S,3R)-3-[(2Z)-(2,3-2H2)-2-Octen-1-yl](2H2)-2-oxiranyl]octanoic acid

  • Molecular FormulaC18H28D4O3
  • Average mass300.470 Da
  • Monoisotopic mass300.260254 Da
  • ChemSpider ID52082952

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

8-[(2S,3R)-3-[(2Z)-(2,3-2H2)-2-Octen-1-yl](2H2)-2-oxiranyl]octanoic acid [ACD/IUPAC Name]
8-[(2S,3R)-3-[(2Z)-(2,3-2H2)-2-Octen-1-yl](2H2)-2-oxiranyl]octansäure [German] [ACD/IUPAC Name]
Acide 8-[(2S,3R)-3-[(2Z)-(2,3-2H2)-2-octén-1-yl](2H2)-2-oxiranyl]octanoïque [French] [ACD/IUPAC Name]
Oxirane-2,3-d2-2-octanoic acid, 3-[(2Z)-2-octen-1-yl-2,3-d2]-, (2S,3R)- [ACD/Index Name]
(?)9(10)-EpOME-d4
(?)9(10)epoxy-12Z-octadecenoic 9,10,12,13-d4 acid
(±)9(10)-EpOME
(±)9(10)-EpOME-d4
9(10)-EpOME-d4

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

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

Click to predict properties on the Chemicalize site


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