Found 5 results

Search term: OHDMVYQDGADQIF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3S)-3-Bromo-2-methyltetrahydro-2H-pyran | C6H11BrO

(2S,3S)-3-Bromo-2-methyltetrahydro-2H-pyran

  • Molecular FormulaC6H11BrO
  • Average mass179.055 Da
  • Monoisotopic mass177.999313 Da
  • ChemSpider ID28409537

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Brom-2-methyltetrahydro-2H-pyran [German] [ACD/IUPAC Name]
(2S,3S)-3-Bromo-2-methyltetrahydro-2H-pyran [ACD/IUPAC Name]
(2S,3S)-3-Bromo-2-méthyltétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
2H-Pyran, 3-bromotetrahydro-2-methyl-, (2S,3S)- [ACD/Index Name]
102067-57-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 188.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 73.6±26.5 °C
Index of Refraction: 1.476
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.94
ACD/KOC (pH 5.5): 229.43
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 229.43
Polar Surface Area: 9 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 131.9±3.0 cm3

Click to predict properties on the Chemicalize site


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