ChemSpider 2D Image | 2-Methyl-2-propanyl [(4-{[(2Z)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazino]carbonyl}cyclohexyl)methyl]carbamate | C31H43N3O5

2-Methyl-2-propanyl [(4-{[(2Z)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazino]carbonyl}cyclohexyl)methyl]carbamate

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID31099884

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl [(4-{[(2Z)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazino]carbonyl}cyclohexyl)methyl]carbamate [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, 2-[(8Z)-3,4-dihydro-6-methylspiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-8-ylidene]hydrazide [ACD/Index Name]
tert-butyl [(4-{[(2Z)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazinyl]carbonyl}cyclohexyl)methyl]carbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 184357.89
ACD/KOC (pH 5.5): 204520.41
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 184309.92
ACD/KOC (pH 7.4): 204467.20
Polar Surface Area: 98 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

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