ChemSpider 2D Image | (3aS,4R,5S)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one | C19H32O5

(3aS,4R,5S)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one

  • Molecular FormulaC19H32O5
  • Average mass340.454 Da
  • Monoisotopic mass340.224976 Da
  • ChemSpider ID77498654

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aS,4R,5S)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aS,4R,5S)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aS,4R,5S)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)éthyl]-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2-one, 4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]hexahydro-5-hydroxy-, (3aS,4R,5S)- [ACD/Index Name]
1110813-31-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 169.2±19.4 °C
Index of Refraction: 1.494
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.91
ACD/KOC (pH 5.5): 953.02
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.91
ACD/KOC (pH 7.4): 953.02
Polar Surface Area: 65 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

Click to predict properties on the Chemicalize site


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