ChemSpider 2D Image | (1R,1'S,2R,2'R,3S)-2'-Hydroxy-3-isopropenyl-1,1'-bi(cyclopentyl)-2-yl (4-bromophenyl)carbamate | C20H26BrNO3

(1R,1'S,2R,2'R,3S)-2'-Hydroxy-3-isopropenyl-1,1'-bi(cyclopentyl)-2-yl (4-bromophenyl)carbamate

  • Molecular FormulaC20H26BrNO3
  • Average mass408.329 Da
  • Monoisotopic mass407.109589 Da
  • ChemSpider ID30660107

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,1'S,2R,2'R,3S)-2'-Hydroxy-3-isopropenyl-1,1'-bi(cyclopentyl)-2-yl (4-bromophenyl)carbamate [ACD/IUPAC Name]
(1R,1'S,2R,2'R,3S)-2'-Hydroxy-3-isopropenyl-1,1'-bi(cyclopentyl)-2-yl-(4-bromphenyl)carbamat [German] [ACD/IUPAC Name]
(4-Bromophényl)carbamate de (1R,1'S,2R,2'R,3S)-2'-hydroxy-3-isopropényl-1,1'-bi(cyclopentyl)-2-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(4-bromophenyl)-, (1R,1'S,2R,2'R,3S)-2'-hydroxy-3-(1-methylethenyl)[1,1'-bicyclopentyl]-2-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5036.03
ACD/KOC (pH 5.5): 15543.43
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5036.01
ACD/KOC (pH 7.4): 15543.38
Polar Surface Area: 59 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 300.8±5.0 cm3

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