ChemSpider 2D Image | 9-Cyclopentyl-9,10-dihydro-8H-spiro[chromeno[8,7-e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one | C21H27NO3

9-Cyclopentyl-9,10-dihydro-8H-spiro[chromeno[8,7-e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one

  • Molecular FormulaC21H27NO3
  • Average mass341.444 Da
  • Monoisotopic mass341.199097 Da
  • ChemSpider ID22488184

More details:






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

9-Cyclopentyl-9,10-dihydro-8H-spiro[chromeno[8,7-e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'-[2H,8H]pyrano[2,3-f][1,3]benzoxazin]-4'(3'H)-one, 9'-cyclopentyl-9',10'-dihydro- [ACD/Index Name]
1212482-52-4 [RN]
9-cyclopentylspiro[8,10-dihydro-3H-pyrano[2,3-f][1,3]benzoxazine-2,1'-cyclohexane]-4-one
C21H27NO3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 473.53
ACD/KOC (pH 5.5): 1963.39
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1722.36
ACD/KOC (pH 7.4): 7141.42
Polar Surface Area: 39 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 275.6±5.0 cm3

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