Found 1 result

Search term: 52964-40-6 (Found by approved synonym)
ChemSpider 2D Image | D-bornyl ?-bromoisovalerate | C15H25BrO2

D-bornyl ?-bromoisovalerate

  • Molecular FormulaC15H25BrO2
  • Average mass317.262 Da
  • Monoisotopic mass316.103790 Da
  • ChemSpider ID52083568

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-bromo-3-methylbutanoate [ACD/IUPAC Name]
(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-2-brom-3-methylbutanoat [German] [ACD/IUPAC Name]
2-Bromo-3-méthylbutanoate de (1R,2S,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
52964-40-6 [RN]
Butanoic acid, 2-bromo-3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
D-bornyl ?-bromoisovalerate
BORNYL α-BROMOISOVALERATE, D-

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

4KHV9YB6I6 [DBID]
UNII:4KHV9YB6I6 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.8±20.4 °C
Index of Refraction: 1.507
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4039.75
ACD/KOC (pH 5.5): 13274.62
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4039.75
ACD/KOC (pH 7.4): 13274.62
Polar Surface Area: 26 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 258.3±5.0 cm3

Click to predict properties on the Chemicalize site


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