ChemSpider 2D Image | (3R,4E,24E,26R)-14-Methyl-4,24-octacosadiene-1,27-diyne-3,26-diol | C29H48O2

(3R,4E,24E,26R)-14-Methyl-4,24-octacosadiene-1,27-diyne-3,26-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID27025847
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:



Featured data source



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

(3R,4E,24E,26R)-14-Methyl-4,24-octacosadien-1,27-diin-3,26-diol [German] [ACD/IUPAC Name]
(3R,4E,24E,26R)-14-Methyl-4,24-octacosadiene-1,27-diyne-3,26-diol [ACD/IUPAC Name]
(3R,4E,24E,26R)-14-Méthyl-4,24-octacosadiène-1,27-diyne-3,26-diol [French] [ACD/IUPAC Name]
4,24-Octacosadiene-1,27-diyne-3,26-diol, 14-methyl-, (3R,4E,24E,26R)- [ACD/Index Name]
miyakosyne A

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

Density: 0.9±0.1 g/cm3
Boiling Point: 545.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 218.4±23.3 °C
Index of Refraction: 1.502
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 647622.19
ACD/KOC (pH 5.5): 502706.44
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 647611.56
ACD/KOC (pH 7.4): 502698.16
Polar Surface Area: 40 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 458.1±3.0 cm3

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