ChemSpider 2D Image | 4-(2-Methyl-2-{4-[1-(spiro[tricyclo[3.3.1.1~3,7~]decane-2,3'-[1,2,4]trioxan]-6'-yl)vinyl]phenoxy}propoxy)-4-oxobutanoic acid | C28H36O8

4-(2-Methyl-2-{4-[1-(spiro[tricyclo[3.3.1.13,7]decane-2,3'-[1,2,4]trioxan]-6'-yl)vinyl]phenoxy}propoxy)-4-oxobutanoic acid

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID8046290

More details:

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

4-(2-Methyl-2-{4-[1-(spiro[tricyclo[3.3.1.13,7]decane-2,3'-[1,2,4]trioxan]-6'-yl)vinyl]phenoxy}propoxy)-4-oxobutanoic acid [ACD/IUPAC Name]
Butanedioic acid, mono[2-methyl-2-[4-(1-spiro[tricyclo[3.3.1.13,7]decane-2,3'-[1,2,4]trioxan]-6'-ylethenyl)phenoxy]propyl] ester [ACD/Index Name]
372960-05-9 [RN]
CDRI-97/78

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 212.2±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 116.22
ACD/KOC (pH 5.5): 507.23
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 8.06
Polar Surface Area: 101 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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