ChemSpider 2D Image | (R)-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]{(4S,5R)-2,2-dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}methanol (non-preferred name) | C25H46O5

(R)-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]{(4S,5R)-2,2-dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}methanol (non-preferred name)

  • Molecular FormulaC25H46O5
  • Average mass426.630 Da
  • Monoisotopic mass426.334534 Da
  • ChemSpider ID75572370

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(R)-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]{(4S,5R)-2,2-dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}methanol (non-preferred name) [German] [ACD/IUPAC Name]
(R)-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]{(4S,5R)-2,2-dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}methanol (non-preferred name) [ACD/IUPAC Name]
(R)-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]{(4S,5R)-2,2-diméthyl-5-[(1E)-1-tétradécén-1-yl]-1,3-dioxolan-4-yl}méthanol (non-preferred name) [French] [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: 505.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.4±28.7 °C
Index of Refraction: 1.493
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 672234.56
ACD/KOC (pH 5.5): 516309.00
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 672233.81
ACD/KOC (pH 7.4): 516308.44
Polar Surface Area: 57 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 425.1±3.0 cm3

Click to predict properties on the Chemicalize site


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