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Search term: GBYMIDMNWOBDEP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-2-(4-Methylene-2-cyclohexen-1-yl)propyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C20H28O4

(2R)-2-(4-Methylene-2-cyclohexen-1-yl)propyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID30650244

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,4S)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de (2R)-2-(4-méthylène-2-cyclohexén-1-yl)propyle [French] [ACD/IUPAC Name]
(2R)-2-(4-Methylen-2-cyclohexen-1-yl)propyl-(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [ACD/IUPAC Name]
(2R)-2-(4-Methylene-2-cyclohexen-1-yl)propyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (2R)-2-(4-methylene-2-cyclohexen-1-yl)propyl ester, (1R,4S)- [ACD/Index 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: 435.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 212.3±22.4 °C
Index of Refraction: 1.527
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.75
ACD/KOC (pH 5.5): 1344.05
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.75
ACD/KOC (pH 7.4): 1344.05
Polar Surface Area: 53 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

Click to predict properties on the Chemicalize site


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