ChemSpider 2D Image | (2E)-3,7-Dimethyl-2,6-octadien-1-yl (4Z,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate | C27H44O2

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4Z,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID18500386

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4Z,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate [ACD/IUPAC Name]
(2E)-3,7-Dimethyl-2,6-octadien-1-yl-(4Z,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoat [German] [ACD/IUPAC Name]
(4Z,8E)-5,9,13-Triméthyl-4,8,12-tétradécatriénoate de (2E)-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (4Z,8E)- [ACD/Index Name]
[(2E)-3,7-Dimethylocta-2,6-dienyl] (4Z,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
3,7-Dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate
51-77-4 [RN]
Gefanil (TN)
Gefarnate (JP17/INN)
N-(7-Acetyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-methylbenzenesulfonamide

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

D01529 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 484.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 93.3±24.0 °C
Index of Refraction: 1.489
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 10.53
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2369231.75
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2369231.75
Polar Surface Area: 26 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 444.8±3.0 cm3

Click to predict properties on the Chemicalize site


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