ChemSpider 2D Image | (1S,2S,5S)-N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide | C13H25NO

(1S,2S,5S)-N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide

  • Molecular FormulaC13H25NO
  • Average mass211.344 Da
  • Monoisotopic mass211.193619 Da
  • ChemSpider ID32821982

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5S)-N-Ethyl-2-isopropyl-5-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
(1S,2S,5S)-N-Ethyl-2-isopropyl-5-methylcyclohexanecarboxamide [ACD/IUPAC Name]
(1S,2S,5S)-N-Éthyl-2-isopropyl-5-méthylcyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-, (1S,2S,5S)- [ACD/Index Name]
(1S,2R,5R)-N-ethyl-2-isopropyl-5-methyl-1-cyclohexanecarboxamide
(1S,2R,5R)-N-ethyl-2-isopropyl-5-methyl-cyclohexane-1-carboxamide
(1S,2R,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
(1S,2R,5R)-N-ethyl-5-methyl-2-propan-2-yl-cyclohexane-1-carboxamide
254-599-0 [EINECS]
39711-79-0 [RN]
More...

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

ZINC04284429 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 340.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 205.7±3.7 °C
Index of Refraction: 1.454
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 381.85
ACD/KOC (pH 5.5): 2453.16
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 381.85
ACD/KOC (pH 7.4): 2453.16
Polar Surface Area: 29 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 235.1±3.0 cm3

Click to predict properties on the Chemicalize site


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