ChemSpider 2D Image | (2E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl chloride | C22H29ClO3

(2E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl chloride

  • Molecular FormulaC22H29ClO3
  • Average mass376.917 Da
  • Monoisotopic mass376.180511 Da
  • ChemSpider ID74094374

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoyl chloride [ACD/IUPAC Name]
(2E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-2,4,10-undecatrienoylchlorid [German] [ACD/IUPAC Name]
2,4,10-Undecatrienoyl chloride, 7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-, (2E,6S,7S,8R,9S,10E)- [ACD/Index Name]
Chlorure de (2E,6S,7S,8R,9S,10E)-7,9-diméthoxy-3,6,8-triméthyl-11-phényl-2,4,10-undécatriénoyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 159.2±27.7 °C
Index of Refraction: 1.535
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4058.40
ACD/KOC (pH 5.5): 13318.46
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4058.40
ACD/KOC (pH 7.4): 13318.46
Polar Surface Area: 36 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

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