Found 133 results

Search term: MF = 'C_{18}H_{25}BrO_{3}'
ChemSpider 2D Image | 3-Bromopropyl 2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylate | C18H25BrO3

3-Bromopropyl 2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylate

  • Molecular FormulaC18H25BrO3
  • Average mass369.293 Da
  • Monoisotopic mass368.098694 Da
  • ChemSpider ID28498882

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(5R,8S,8aS)-3,8-Diméthyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulényl]acrylate de 3-bromopropyle [French] [ACD/IUPAC Name]
3-Bromopropyl 2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylate [ACD/IUPAC Name]
3-Brompropyl-2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylat [German] [ACD/IUPAC Name]
5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-α-methylene-2-oxo-, 3-bromopropyl ester, (5R,8S,8aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 474.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.8±26.8 °C
Index of Refraction: 1.531
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2076.16
ACD/KOC (pH 5.5): 8243.11
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2076.16
ACD/KOC (pH 7.4): 8243.11
Polar Surface Area: 43 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

Click to predict properties on the Chemicalize site


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