ChemSpider 2D Image | (2S)-2-[(1S)-1-Carboxy-11-dodecen-1-yl]-5-oxotetrahydro-2-furancarboxylic acid | C18H28O6

(2S)-2-[(1S)-1-Carboxy-11-dodecen-1-yl]-5-oxotetrahydro-2-furancarboxylic acid

  • Molecular FormulaC18H28O6
  • Average mass340.411 Da
  • Monoisotopic mass340.188599 Da
  • ChemSpider ID44210729

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1S)-1-Carboxy-11-dodecen-1-yl]-5-oxotetrahydro-2-furancarbonsäure [German] [ACD/IUPAC Name]
(2S)-2-[(1S)-1-Carboxy-11-dodecen-1-yl]-5-oxotetrahydro-2-furancarboxylic acid [ACD/IUPAC Name]
2-Furanacetic acid, 2-carboxytetrahydro-5-oxo-α-10-undecen-1-yl-, (αS,2S)- [ACD/Index Name]
Acide (2S)-2-[(1S)-1-carboxy-11-dodécén-1-yl]-5-oxotétrahydro-2-furanecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 196.2±19.4 °C
Index of Refraction: 1.509
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 293.8±3.0 cm3

Click to predict properties on the Chemicalize site


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