ChemSpider 2D Image | 1,1',3,3'-Tetra-sec-butyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide | C22H42N4O8S2

1,1',3,3'-Tetra-sec-butyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide

  • Molecular FormulaC22H42N4O8S2
  • Average mass554.721 Da
  • Monoisotopic mass554.244385 Da
  • ChemSpider ID3747163

More details:

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

1,1',3,3'-Tetra-sec-butyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-2,2,2',2'-tetraoxid [German] [ACD/IUPAC Name]
1,1',3,3'-Tetra-sec-butyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide [ACD/IUPAC Name]
2,2,2',2'-Tétraoxyde de 1,1',3,3'-tétra-sec-butyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole [French] [ACD/IUPAC Name]
5H,5'H-5,5'-Bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole, octahydro-1,1',3,3'-tetrakis(1-methylpropyl)-, 2,2,2',2'-tetraoxide [ACD/Index Name]
1,1',3,3'-tetra(butan-2-yl)octahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
1,1',3,3'-tetra-sec-butyloctahydro-[5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole] 2,2,2',2'-tetraoxide
1,3,1',3'-Tetra-sec-butyl-octahydro-[5,5']bi[4,6-dioxa-2-thia-1,3-diaza-pentalenyl] 2,2,2',2'-tetraoxide
2,4-bis(methylpropyl)-7-[6,8-bis(methylpropyl)-7,7-dioxo-2,4-dioxa-7-thia-6,8-diazabicyclo[3.3.0]oct-3-yl]-6,8-dioxa-3-thia-2,4-diazabicyclo[3.3.0]octane-3,3-dione

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

A2515/0106854 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 539.78
ACD/KOC (pH 5.5): 3142.83
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 539.78
ACD/KOC (pH 7.4): 3142.83
Polar Surface Area: 135 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 435.6±3.0 cm3

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