ChemSpider 2D Image | 5-[(1S,2R,6S)-6-Bromo-2-(3-hydroxy-3-methyl-4-penten-1-yl)-1-methyl-3-methylenecyclohexyl]-2-methyl-2,3-pentanediol | C20H35BrO3

5-[(1S,2R,6S)-6-Bromo-2-(3-hydroxy-3-methyl-4-penten-1-yl)-1-methyl-3-methylenecyclohexyl]-2-methyl-2,3-pentanediol

  • Molecular FormulaC20H35BrO3
  • Average mass403.394 Da
  • Monoisotopic mass402.176941 Da
  • ChemSpider ID35516847

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1,2-Cyclohexanedipropanol, 3-bromo-α1-ethenyl-α2-(1-hydroxy-1-methylethyl)-α1,2-dimethyl-6-methylene-, (1R,2S,3S)- [ACD/Index Name]
5-[(1S,2R,6S)-6-Brom-2-(3-hydroxy-3-methyl-4-penten-1-yl)-1-methyl-3-methylencyclohexyl]-2-methyl-2,3-pentandiol [German] [ACD/IUPAC Name]
5-[(1S,2R,6S)-6-Bromo-2-(3-hydroxy-3-methyl-4-penten-1-yl)-1-methyl-3-methylenecyclohexyl]-2-methyl-2,3-pentanediol [ACD/IUPAC Name]
5-[(1S,2R,6S)-6-Bromo-2-(3-hydroxy-3-méthyl-4-pentén-1-yl)-1-méthyl-3-méthylènecyclohexyl]-2-méthyl-2,3-pentanediol [French] [ACD/IUPAC 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: 491.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 251.3±27.3 °C
Index of Refraction: 1.529
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 509.10
ACD/KOC (pH 5.5): 3013.93
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 509.10
ACD/KOC (pH 7.4): 3013.93
Polar Surface Area: 61 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 337.7±5.0 cm3

Click to predict properties on the Chemicalize site


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