ChemSpider 2D Image | Ethyl (1R,3aR,6aS)-1-(iodomethyl)-6-isopropylidene-3-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylate | C14H19IO4

Ethyl (1R,3aR,6aS)-1-(iodomethyl)-6-isopropylidene-3-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylate

  • Molecular FormulaC14H19IO4
  • Average mass378.203 Da
  • Monoisotopic mass378.032806 Da
  • ChemSpider ID30660033

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3aR,6aS)-1-(Iodométhyl)-6-isopropylidène-3-oxotétrahydro-1H-cyclopenta[c]furane-3a(3H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Cyclopenta[c]furan-3a(3H)-carboxylic acid, tetrahydro-1-(iodomethyl)-6-(1-methylethylidene)-3-oxo-, ethyl ester, (1R,3aR,6aS)- [ACD/Index Name]
Ethyl (1R,3aR,6aS)-1-(iodomethyl)-6-isopropylidene-3-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,3aR,6aS)-1-(iodmethyl)-6-isopropyliden-3-oxotetrahydro-1H-cyclopenta[c]furan-3a(3H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 440.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.3±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.12
ACD/KOC (pH 5.5): 1659.19
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.12
ACD/KOC (pH 7.4): 1659.19
Polar Surface Area: 53 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 241.1±3.0 cm3

Click to predict properties on the Chemicalize site


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