ChemSpider 2D Image | (5R)-2-[5-(2-Methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name) | C14H14N4O3

(5R)-2-[5-(2-Methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)

  • Molecular FormulaC14H14N4O3
  • Average mass286.286 Da
  • Monoisotopic mass286.106598 Da
  • ChemSpider ID44241456

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5R)-2-[5-(2-Methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-on (non-preferred name) [German] [ACD/IUPAC Name]
(5R)-2-[5-(2-Methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name) [ACD/IUPAC Name]
(5R)-2-[5-(2-Méthylphényl)-1H-tétrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 522.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±32.9 °C
Index of Refraction: 1.761
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 45.37
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 45.37
Polar Surface Area: 79 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 178.3±7.0 cm3

Click to predict properties on the Chemicalize site


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