ChemSpider 2D Image | (1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl formate | C11H20O2

(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl formate

  • Molecular FormulaC11H20O2
  • Average mass184.275 Da
  • Monoisotopic mass184.146332 Da
  • ChemSpider ID114779818

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl formate [ACD/IUPAC Name]
(1S,2S,5R)-2-Isopropyl-5-methylcyclohexylformiat [German] [ACD/IUPAC Name]
(1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol formate
106137-43-3 [RN]
2554703 [Beilstein]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, formate, (1S,2S,5R)- [ACD/Index Name]
Formiate de (1S,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
L6TJ AY1&1 BOVH D1 &&(1S,2S,5R)- Form [WLN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 229.2±7.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 86.8±15.6 °C
Index of Refraction: 1.448
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.49
ACD/KOC (pH 5.5): 3412.22
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.49
ACD/KOC (pH 7.4): 3412.22
Polar Surface Area: 26 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 197.7±5.0 cm3

Click to predict properties on the Chemicalize site


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