ChemSpider 2D Image | (4'Z)-4'-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)methylene]-9'-methyl-4',9'-dihydro-1'H-spiro[cyclohexane-1,3'-pyrano[3,4-b]indol]-1'-one | C23H28NO5P

(4'Z)-4'-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)methylene]-9'-methyl-4',9'-dihydro-1'H-spiro[cyclohexane-1,3'-pyrano[3,4-b]indol]-1'-one

  • Molecular FormulaC23H28NO5P
  • Average mass429.446 Da
  • Monoisotopic mass429.170502 Da
  • ChemSpider ID30659524

  • Double-bond stereo - Double-bond stereo

More details:

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

(4'Z)-4'-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)methylene]-9'-methyl-4',9'-dihydro-1'H-spiro[cyclohexane-1,3'-pyrano[3,4-b]indol]-1'-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,3'(1'H)-pyrano[3,4-b]indol]-1'-one, 4'-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)methylene]-4',9'-dihydro-9'-methyl-, (4'Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1837.23
ACD/KOC (pH 5.5): 7552.41
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1837.23
ACD/KOC (pH 7.4): 7552.41
Polar Surface Area: 77 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 313.4±7.0 cm3

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