ChemSpider 2D Image | 1,1'-{[(2E,4S,5S)-1-Bromo-4-methyl-2-heptene-5,7-diyl]bis(oxymethylene)}dibenzene | C22H27BrO2

1,1'-{[(2E,4S,5S)-1-Bromo-4-methyl-2-heptene-5,7-diyl]bis(oxymethylene)}dibenzene

  • Molecular FormulaC22H27BrO2
  • Average mass403.353 Da
  • Monoisotopic mass402.119446 Da
  • ChemSpider ID74106238

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,1'-{[(2E,4S,5S)-1-Brom-4-methyl-2-hepten-5,7-diyl]bis(oxymethylen)}dibenzol [German] [ACD/IUPAC Name]
1,1'-{[(2E,4S,5S)-1-Bromo-4-methyl-2-heptene-5,7-diyl]bis(oxymethylene)}dibenzene [ACD/IUPAC Name]
1,1'-{[(2E,4S,5S)-1-Bromo-4-méthyl-2-heptène-5,7-diyl]bis(oxyméthylène)}dibenzène [French] [ACD/IUPAC Name]
Benzene, [[[(1S,2S,3E)-5-bromo-2-methyl-1-[2-(phenylmethoxy)ethyl]-3-penten-1-yl]oxy]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 180.0±24.2 °C
Index of Refraction: 1.561
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16539.43
ACD/KOC (pH 5.5): 36408.64
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16539.43
ACD/KOC (pH 7.4): 36408.64
Polar Surface Area: 18 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 335.3±3.0 cm3

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