ChemSpider 2D Image | 8-[(2S,3R)-3-Heptyl-2-oxiranyl]-1-octene-4,6-diyn-3-ol | C17H24O2

8-[(2S,3R)-3-Heptyl-2-oxiranyl]-1-octene-4,6-diyn-3-ol

  • Molecular FormulaC17H24O2
  • Average mass260.371 Da
  • Monoisotopic mass260.177643 Da
  • ChemSpider ID82965894

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Octene-4,6-diyn-3-ol, 8-[(2S,3R)-3-heptyloxiranyl]- [ACD/Index Name]
8-[(2S,3R)-3-Heptyl-2-oxiranyl]-1-octen-4,6-diin-3-ol [German] [ACD/IUPAC Name]
8-[(2S,3R)-3-Heptyl-2-oxiranyl]-1-octene-4,6-diyn-3-ol [ACD/IUPAC Name]
8-[(2S,3R)-3-Heptyl-2-oxiranyl]-1-octène-4,6-diyn-3-ol [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: 397.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 167.5±19.4 °C
Index of Refraction: 1.508
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11174.90
ACD/KOC (pH 5.5): 27499.29
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11174.30
ACD/KOC (pH 7.4): 27497.81
Polar Surface Area: 33 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 260.6±3.0 cm3

Click to predict properties on the Chemicalize site


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