ChemSpider 2D Image | (3S,9E)-1,9-Heptadecadiene-4,6-diyn-3-ol | C17H24O

(3S,9E)-1,9-Heptadecadiene-4,6-diyn-3-ol

  • Molecular FormulaC17H24O
  • Average mass244.372 Da
  • Monoisotopic mass244.182709 Da
  • ChemSpider ID57580094

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,9E)-1,9-Heptadecadien-4,6-diin-3-ol [German] [ACD/IUPAC Name]
(3S,9E)-1,9-Heptadecadiene-4,6-diyn-3-ol [ACD/IUPAC Name]
(3S,9E)-1,9-Heptadécadiène-4,6-diyn-3-ol [French] [ACD/IUPAC Name]
1,9-Heptadecadiene-4,6-diyn-3-ol, (3S,9E)- [ACD/Index Name]
(S,Z)-heptadeca-1,9-dien-4,6-diyne-3-ol
81203-57-8 [RN]
Falcarinol [Wiki]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 370.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 163.4±20.9 °C
Index of Refraction: 1.507
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40100.25
ACD/KOC (pH 5.5): 68630.23
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40098.09
ACD/KOC (pH 7.4): 68626.53
Polar Surface Area: 20 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 262.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement