ChemSpider 2D Image | {(1S,2S,3S)-3-[(1R)-1-(2,4,6-Triisopropylphenyl)ethoxy]-1,2-cyclobutanediyl}bis(methylene) dibenzoate | C37H46O5

{(1S,2S,3S)-3-[(1R)-1-(2,4,6-Triisopropylphenyl)ethoxy]-1,2-cyclobutanediyl}bis(methylene) dibenzoate

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID26582483

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1S,2S,3S)-3-[(1R)-1-(2,4,6-Triisopropylphenyl)ethoxy]-1,2-cyclobutandiyl}dimethylen-dibenzoat [German] [ACD/IUPAC Name]
{(1S,2S,3S)-3-[(1R)-1-(2,4,6-Triisopropylphenyl)ethoxy]-1,2-cyclobutanediyl}bis(methylene) dibenzoate [ACD/IUPAC Name]
1,2-Cyclobutanedimethanol, 3-[(1R)-1-[2,4,6-tris(1-methylethyl)phenyl]ethoxy]-, dibenzoate, (1S,2S,3S)- [ACD/Index Name]
Dibenzoate de {(1S,2S,3S)-3-[(1R)-1-(2,4,6-triisopropylphényl)éthoxy]-1,2-cyclobutanediyl}diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 612.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 250.4±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.86
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6512874.00
ACD/LogD (pH 7.4): 9.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6512874.00
Polar Surface Area: 62 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 513.0±5.0 cm3

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