ChemSpider 2D Image | (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoic acid | C35H46O2

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoic acid

  • Molecular FormulaC35H46O2
  • Average mass498.738 Da
  • Monoisotopic mass498.349792 Da
  • ChemSpider ID115295511

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentaméthyl-21-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4,6,8,10,12,14,16,18,20-hénicosadécaénoïque [French] [ACD/IUPAC 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: 673.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 516.4±13.8 °C
Index of Refraction: 1.566
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 11.75
ACD/LogD (pH 5.5): 9.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1100899.25
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 67532.24
ACD/KOC (pH 7.4): 17431.60
Polar Surface Area: 37 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 505.8±3.0 cm3

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