ChemSpider 2D Image | (1S,6R)-6-[(2-Ethylhexyl)carbamoyl]-3-cyclohexene-1-carboxylic acid | C16H27NO3

(1S,6R)-6-[(2-Ethylhexyl)carbamoyl]-3-cyclohexene-1-carboxylic acid

  • Molecular FormulaC16H27NO3
  • Average mass281.391 Da
  • Monoisotopic mass281.199097 Da
  • ChemSpider ID50721532

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,6R)-6-[(2-Ethylhexyl)carbamoyl]-3-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,6R)-6-[(2-Ethylhexyl)carbamoyl]-3-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 6-[[(2-ethylhexyl)amino]carbonyl]-, (1S,6R)- [ACD/Index Name]
Acide (1S,6R)-6-[(2-éthylhexyl)carbamoyl]-3-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 244.9±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 65.36
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 66 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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