Found 18 results

Search term: MF = 'C_{22}H_{29}BrO_{2}'
ChemSpider 2D Image | (3S,3aS)-7-(2-Bromo-5-methoxybenzyl)-3a-methyl-3-[(2-methyl-2-propanyl)oxy]-2,3,3a,4-tetrahydro-1H-indene | C22H29BrO2

(3S,3aS)-7-(2-Bromo-5-methoxybenzyl)-3a-methyl-3-[(2-methyl-2-propanyl)oxy]-2,3,3a,4-tetrahydro-1H-indene

  • Molecular FormulaC22H29BrO2
  • Average mass405.368 Da
  • Monoisotopic mass404.135071 Da
  • ChemSpider ID26580795

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3aS)-7-(2-Brom-5-methoxybenzyl)-3a-methyl-3-[(2-methyl-2-propanyl)oxy]-2,3,3a,4-tetrahydro-1H-inden [German] [ACD/IUPAC Name]
(3S,3aS)-7-(2-Bromo-5-methoxybenzyl)-3a-methyl-3-[(2-methyl-2-propanyl)oxy]-2,3,3a,4-tetrahydro-1H-indene [ACD/IUPAC Name]
(3S,3aS)-7-(2-Bromo-5-méthoxybenzyl)-3a-méthyl-3-[(2-méthyl-2-propanyl)oxy]-2,3,3a,4-tétrahydro-1H-indène [French] [ACD/IUPAC Name]
1H-Indene, 4-[(2-bromo-5-methoxyphenyl)methyl]-1-(1,1-dimethylethoxy)-2,3,7,7a-tetrahydro-7a-methyl-, (1S,7aS)- [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: 467.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 171.2±24.2 °C
Index of Refraction: 1.571
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40467.80
ACD/KOC (pH 5.5): 69079.97
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40467.80
ACD/KOC (pH 7.4): 69079.97
Polar Surface Area: 18 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 326.6±5.0 cm3

Click to predict properties on the Chemicalize site


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