ChemSpider 2D Image | (1R,4R,7S)-1,7-Dimethyl-7-[(phenylsulfonyl)methyl]spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane] | C18H24O4S

(1R,4R,7S)-1,7-Dimethyl-7-[(phenylsulfonyl)methyl]spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]

  • Molecular FormulaC18H24O4S
  • Average mass336.446 Da
  • Monoisotopic mass336.139526 Da
  • ChemSpider ID21195807

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4R,7S)-1,7-Dimethyl-7-[(phenylsulfonyl)methyl]spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane] [ACD/IUPAC Name]
Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane], 1,7-dimethyl-7-[(phenylsulfonyl)methyl]-, (1R,4R,7S)- [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: 487.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 248.5±25.4 °C
Index of Refraction: 1.585
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.73
ACD/KOC (pH 5.5): 511.59
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.73
ACD/KOC (pH 7.4): 511.59
Polar Surface Area: 61 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 263.9±5.0 cm3

Click to predict properties on the Chemicalize site


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