ChemSpider 2D Image | 8,12-Dimethyl-7-(6-methyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.0~3,11~.0~4,8~.0~12,21~]docosane 17,17,19,19-tetraoxide | C27H46O7S2

8,12-Dimethyl-7-(6-methyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.03,11.04,8.012,21]docosane 17,17,19,19-tetraoxide

  • Molecular FormulaC27H46O7S2
  • Average mass546.780 Da
  • Monoisotopic mass546.268494 Da
  • ChemSpider ID28685716

More details:

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

17,17,19,19-Tétraoxyde de 8,12-diméthyl-7-(6-méthyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.03,11.04,8.012,21]docosane [French] [ACD/IUPAC Name]
6,8-Ethano-1H-cyclopenta[7,8]naphtho[2,3-f][1,3,5,2,4]trioxadithionin, 3-(1,5-dimethylhexyl)tetradecahydro-3a,6-dimethyl-, 10,10,12,12-tetraoxide [ACD/Index Name]
8,12-Dimethyl-7-(6-methyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.03,11.04,8.012,21]docosan-17,17,19,19-tetraoxid [German] [ACD/IUPAC Name]
8,12-Dimethyl-7-(6-methyl-2-heptanyl)-16,18,20-trioxa-17,19-dithiapentacyclo[13.5.2.03,11.04,8.012,21]docosane 17,17,19,19-tetraoxide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 310.6±25.4 °C
Index of Refraction: 1.512
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 134352.08
ACD/KOC (pH 5.5): 163070.41
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134352.08
ACD/KOC (pH 7.4): 163070.41
Polar Surface Area: 113 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 465.1±3.0 cm3

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