ChemSpider 2D Image | 2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-1,3-dimethoxy-5-pentylbenzene | C23H36O2

2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-1,3-dimethoxy-5-pentylbenzene

  • Molecular FormulaC23H36O2
  • Average mass344.531 Da
  • Monoisotopic mass344.271515 Da
  • ChemSpider ID24707918

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-1,3-dimethoxy-5-pentylbenzene [ACD/IUPAC Name]
2-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-1,3-diméthoxy-5-pentylbenzène [French] [ACD/IUPAC Name]
2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-1,3-dimethoxy-5-pentylbenzol [German] [ACD/IUPAC Name]
29106-16-9 [RN]
Benzene, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,3-dimethoxy-5-pentyl- [ACD/Index Name]
1186405-24-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500399/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 452.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 146.5±24.9 °C
Index of Refraction: 1.501
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 544114.88
ACD/KOC (pH 5.5): 443791.16
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 544114.88
ACD/KOC (pH 7.4): 443791.16
Polar Surface Area: 18 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

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