ChemSpider 2D Image | MFCD11054885 | C25H34O8

MFCD11054885

  • Molecular FormulaC25H34O8
  • Average mass462.533 Da
  • Monoisotopic mass462.225372 Da
  • ChemSpider ID22900343

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R,2R,3R)-3-[(4-Methoxybenzyl)oxy]-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-vinylcyclobutyl]methyl methyl malonate [ACD/IUPAC Name]
[(1R,2R,3R)-3-[(4-Methoxybenzyl)oxy]-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-vinylcyclobutyl]methyl-methyl-malonat [German] [ACD/IUPAC Name]
1-({(1R,2R,3R)-2-(2-TERT-BUTOXY-2-OXOETHYL)-3-[(4-METHOXYBENZYL)OXY]-1-VINYLCYCLOBUTYL}METHYL) 3-METHYL MALONATE
Malonate de [(1R,2R,3R)-3-[(4-méthoxybenzyl)oxy]-2-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-1-vinylcyclobutyl]méthyle et de méthyle [French] [ACD/IUPAC Name]
MFCD11054885
Propanedioic acid, [(1R,2R,3R)-2-[2-(1,1-dimethylethoxy)-2-oxoethyl]-1-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutyl]methyl methyl ester [ACD/Index 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: 510.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 215.4±30.2 °C
Index of Refraction: 1.521
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 731.94
ACD/KOC (pH 5.5): 3908.35
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 731.91
ACD/KOC (pH 7.4): 3908.17
Polar Surface Area: 97 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 399.2±5.0 cm3

Click to predict properties on the Chemicalize site


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