ChemSpider 2D Image | MFCD10569048 | C20H28O5S

MFCD10569048

  • Molecular FormulaC20H28O5S
  • Average mass380.498 Da
  • Monoisotopic mass380.165741 Da
  • ChemSpider ID22899639

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

((1S,4S)-1-ISOPROPYL-4-METHYLSPIRO[BICYCLO[3.1.0]HEXANE-3,2'-[1,3]DIOXOLANE]-4-YL)METHYL 4-METHYLBENZENESULFONATE
[(2S,5S)-5-Isopropyl-2-methylspiro[bicyclo[3.1.0]hexane-3,2'-[1,3]dioxolan]-2-yl]methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
MFCD10569048
Spiro[bicyclo[3.1.0]hexane-3,2'-[1,3]dioxolane]-2-methanol, 2-methyl-5-(1-methylethyl)-, 4-methylbenzenesulfonate, (2S,5S)- [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: 489.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 249.7±23.2 °C
Index of Refraction: 1.572
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.17
ACD/KOC (pH 5.5): 3427.05
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.17
ACD/KOC (pH 7.4): 3427.05
Polar Surface Area: 70 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 302.5±5.0 cm3

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