ChemSpider 2D Image | (1S,2S)-2,6-Dimethyl-1-(2-naphthyl)-2-vinyl-5-hepten-1-yl 4-bromobenzoate | C28H29BrO2

(1S,2S)-2,6-Dimethyl-1-(2-naphthyl)-2-vinyl-5-hepten-1-yl 4-bromobenzoate

  • Molecular FormulaC28H29BrO2
  • Average mass477.433 Da
  • Monoisotopic mass476.135071 Da
  • ChemSpider ID30658524

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2,6-Dimethyl-1-(2-naphthyl)-2-vinyl-5-hepten-1-yl 4-bromobenzoate [ACD/IUPAC Name]
(1S,2S)-2,6-Dimethyl-1-(2-naphthyl)-2-vinyl-5-hepten-1-yl-4-brombenzoat [German] [ACD/IUPAC Name]
4-Bromobenzoate de (1S,2S)-2,6-diméthyl-1-(2-naphtyl)-2-vinyl-5-heptén-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, (1S,2S)-2-ethenyl-2,6-dimethyl-1-(2-naphthalenyl)-5-hepten-1-yl ester [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: 567.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 9.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2415017.50
ACD/LogD (pH 7.4): 9.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2415017.50
Polar Surface Area: 26 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


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