ChemSpider 2D Image | 4-(2-{4-[(1s,4s)-Dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenoxy}ethyl)morpholine | C28H39NO5

4-(2-{4-[(1s,4s)-Dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]phenoxy}ethyl)morpholine

  • Molecular FormulaC28H39NO5
  • Average mass469.613 Da
  • Monoisotopic mass469.282837 Da
  • ChemSpider ID52083295

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

4-(2-{4-[(1s,4s)-Dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]phenoxy}ethyl)morpholine [ACD/IUPAC Name]
Morpholine, 4-[2-(4-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-ylphenoxy)ethyl]- [ACD/Index Name]
1029939-86-3 [RN]
artefenomel [INN]
UNII:RIK029813G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 165.7±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 187.86
ACD/KOC (pH 5.5): 764.49
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1706.01
ACD/KOC (pH 7.4): 6942.64
Polar Surface Area: 49 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

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