ChemSpider 2D Image | (1R,5R)-5-(Hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide | C12H21NO3

(1R,5R)-5-(Hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide

  • Molecular FormulaC12H21NO3
  • Average mass227.300 Da
  • Monoisotopic mass227.152145 Da
  • ChemSpider ID21195628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-5-(Hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-1-carboxamid [German] [ACD/IUPAC Name]
(1R,5R)-5-(Hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide [ACD/IUPAC Name]
(1R,5R)-5-(Hydroxyméthyl)-N,7,7-triméthyl-6-oxabicyclo[3.2.1]octane-1-carboxamide [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.2.1]octane-1-carboxamide, 5-(hydroxymethyl)-N,7,7-trimethyl-, (1R,5R)- [ACD/Index 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: 360.3±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 171.7±29.6 °C
Index of Refraction: 1.550
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.45
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.86
Polar Surface Area: 62 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 188.0±7.0 cm3

Click to predict properties on the Chemicalize site


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