ChemSpider 2D Image | Cicutoxin | C17H22O2

Cicutoxin

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID23215724
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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

(8E,10E,12E,14R)-8,10,12-Heptadecatrien-4,6-diin-1,14-diol [German] [ACD/IUPAC Name]
(8E,10E,12E,14R)-8,10,12-Heptadecatriene-4,6-diyne-1,14-diol [ACD/IUPAC Name]
(8E,10E,12E,14R)-8,10,12-Heptadécatriène-4,6-diyne-1,14-diol [French] [ACD/IUPAC Name]
(8E,10E,12E,14R)-heptadeca-8,10,12-triene-4,6-diyne-1,14-diol
8,10,12-Heptadecatriene-4,6-diyne-1,14-diol, (8E,10E,12E,14R)- [ACD/Index Name]
Cicutoxin [Wiki]
(trans)-Heptadeca-8,10,12-triene-4,6-diyne-1,14-diol
cicutoxina [Portuguese]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 467.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 218.3±23.3 °C
Index of Refraction: 1.548
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 421.65
ACD/KOC (pH 5.5): 2633.56
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 421.65
ACD/KOC (pH 7.4): 2633.56
Polar Surface Area: 40 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

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