ChemSpider 2D Image | (1S)-1-[(1S,3R)-3-Iodo-2,2-dimethylcyclopropyl]propyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C18H27IO4

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

  • Molecular FormulaC18H27IO4
  • Average mass434.309 Da
  • Monoisotopic mass434.095398 Da
  • ChemSpider ID30659912

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-[(1S,3R)-3-Iod-2,2-dimethylcyclopropyl]propyl-(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [ACD/IUPAC Name]
(1S)-1-[(1S,3R)-3-Iodo-2,2-dimethylcyclopropyl]propyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
(1S,4R)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de (1S)-1-[(1S,3R)-3-iodo-2,2-diméthylcyclopropyl]propyle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S)-1-[(1S,3R)-3-iodo-2,2-dimethylcyclopropyl]propyl ester, (1S,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 447.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.2±21.8 °C
Index of Refraction: 1.556
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 708.87
ACD/KOC (pH 5.5): 3819.78
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 708.87
ACD/KOC (pH 7.4): 3819.78
Polar Surface Area: 53 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 298.1±5.0 cm3

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