ChemSpider 2D Image | [(1S,2R,3S,4R)-1,3,5,5-Tetramethoxy-2,4-dimethylpentyl]benzene (non-preferred name) | C17H28O4

[(1S,2R,3S,4R)-1,3,5,5-Tetramethoxy-2,4-dimethylpentyl]benzene (non-preferred name)

  • Molecular FormulaC17H28O4
  • Average mass296.402 Da
  • Monoisotopic mass296.198761 Da
  • ChemSpider ID73980829

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,2R,3S,4R)-1,3,5,5-Tetramethoxy-2,4-dimethylpentyl]benzene (non-preferred name) [ACD/IUPAC Name]
[(1S,2R,3S,4R)-1,3,5,5-Tétraméthoxy-2,4-diméthylpentyl]benzène (non-preferred name) [French] [ACD/IUPAC Name]
[(1S,2R,3S,4R)-1,3,5,5-Tetramethoxy-2,4-dimethylpentyl]benzol (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 355.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 51.6±37.1 °C
Index of Refraction: 1.477
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.15
ACD/KOC (pH 5.5): 1415.72
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.15
ACD/KOC (pH 7.4): 1415.72
Polar Surface Area: 37 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

Click to predict properties on the Chemicalize site


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