ChemSpider 2D Image | (4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)-4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methyl-1,23-nonacosadiene | C40H78O10

(4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)-4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methyl-1,23-nonacosadiene

  • Molecular FormulaC40H78O10
  • Average mass719.041 Da
  • Monoisotopic mass718.559509 Da
  • ChemSpider ID8525373

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)-4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methyl-1,23-nonacosadien [German] [ACD/IUPAC Name]
(4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)-4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methyl-1,23-nonacosadiene [ACD/IUPAC Name]
(4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)-4,6,8,10,12,14,16,18,20,22-Décaméthoxy-23-méthyl-1,23-nonacosadiène [French] [ACD/IUPAC Name]
1,23-Nonacosadiene, 4,6,8,10,12,14,16,18,20,22-decamethoxy-23-methyl-, (4S,6S,8S,10S,14S,16S,18S,20S,22S,23E)- [ACD/Index 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: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 219.0±31.4 °C
Index of Refraction: 1.460
Molar Refractivity: 204.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36774.56
ACD/KOC (pH 5.5): 64506.32
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36774.56
ACD/KOC (pH 7.4): 64506.32
Polar Surface Area: 92 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 744.7±3.0 cm3

Click to predict properties on the Chemicalize site


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