ChemSpider 2D Image | cis-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid | C14H22O4

cis-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID21111913

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-4-Methylen-2-octyl-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2R,3R)-4-Methylene-2-octyl-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
(2R,3R)-4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
(2R,3R)-4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
191282-49-2 [RN]
3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3R)- [ACD/Index Name]
Acide (2R,3R)-4-méthylène-2-octyl-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
cis-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid
(2R,3R)-4-methylene-2-octyl-5-oxo-3-tetrahydrofurancarboxylic acid
(2R,3R)-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 432.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 159.2±22.2 °C
Index of Refraction: 1.489
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 235.0±5.0 cm3

Click to predict properties on the Chemicalize site


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