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Search term: 78442372 (Found by CSID)
ChemSpider 2D Image | 2-({[(2S,3R,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3-methyl-2-cyclopenten-1-one | C14H20O4

2-({[(2S,3R,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3-methyl-2-cyclopenten-1-one

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID78442372

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-({[(2S,3R,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3-methyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
2-({[(2S,3R,4S)-4-Acetyl-3-methyltetrahydro-2-furanyl]oxy}methyl)-3-methyl-2-cyclopenten-1-one [ACD/IUPAC Name]
2-({[(2S,3R,4S)-4-Acétyl-3-méthyltétrahydro-2-furanyl]oxy}méthyl)-3-méthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 2-[[[(2S,3R,4S)-4-acetyltetrahydro-3-methyl-2-furanyl]oxy]methyl]-3-methyl- [ACD/Index Name]
Aspereusin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 171.4±27.9 °C
Index of Refraction: 1.501
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 89.04
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 89.04
Polar Surface Area: 53 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 223.5±5.0 cm3

Click to predict properties on the Chemicalize site


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