ChemSpider 2D Image | 1-(6'-Methyl-2',3'-dihydro-6'H-spiro[cyclopentane-1,9'-[1,4]dioxino[2,3-g]isoquinolin]-7'(8'H)-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone | C26H31NO5S

1-(6'-Methyl-2',3'-dihydro-6'H-spiro[cyclopentane-1,9'-[1,4]dioxino[2,3-g]isoquinolin]-7'(8'H)-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone

  • Molecular FormulaC26H31NO5S
  • Average mass469.593 Da
  • Monoisotopic mass469.192291 Da
  • ChemSpider ID21966178

More details:

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

1-(6'-Methyl-2',3'-dihydro-6'H-spiro[cyclopentane-1,9'-[1,4]dioxino[2,3-g]isoquinolin]-7'(8'H)-yl)-3-[(4-methylphenyl)sulfonyl]-1-propanone [ACD/IUPAC Name]
1-Propanone, 1-(2',3'-dihydro-6'-methylspiro[cyclopentane-1,9'(6'H)-[1,4]dioxino[2,3-g]isoquinolin]-7'(8'H)-yl)-3-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.2±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1149.91
ACD/KOC (pH 5.5): 5400.35
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1149.91
ACD/KOC (pH 7.4): 5400.36
Polar Surface Area: 81 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 355.5±5.0 cm3

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