ChemSpider 2D Image | (3R,8S,9E)-1,9-Heptadecadiene-4,6-diyne-3,8-diol | C17H24O2

(3R,8S,9E)-1,9-Heptadecadiene-4,6-diyne-3,8-diol

  • Molecular FormulaC17H24O2
  • Average mass260.371 Da
  • Monoisotopic mass260.177643 Da
  • ChemSpider ID31046385
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,8S,9E)-1,9-Heptadecadien-4,6-diin-3,8-diol [German] [ACD/IUPAC Name]
(3R,8S,9E)-1,9-Heptadecadiene-4,6-diyne-3,8-diol [ACD/IUPAC Name]
(3R,8S,9E)-1,9-Heptadécadiène-4,6-diyne-3,8-diol [French] [ACD/IUPAC Name]
1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3R,8S,9E)- [ACD/Index Name]
(3R,8S)-Falcarindiol
1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3R,8S,9Z)- [ACD/Index Name]
225110-25-8 [RN]
Falcarindiol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 408.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 184.7±23.3 °C
Index of Refraction: 1.524
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9497.97
ACD/KOC (pH 5.5): 24478.10
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9497.30
ACD/KOC (pH 7.4): 24476.38
Polar Surface Area: 40 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 260.2±3.0 cm3

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