ChemSpider 2D Image | MFCD00075324 | C33H36O6

MFCD00075324

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID1409566

More details:

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

4,10,16-Triisopropyl-1,7,13-trimethyl-6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododecin-6,12,18-trion [German] [ACD/IUPAC Name]
4,10,16-Triisopropyl-1,7,13-trimethyl-6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione [ACD/IUPAC Name]
4,10,16-Triisopropyl-1,7,13-triméthyl-6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododécine-6,12,18-trione [French] [ACD/IUPAC Name]
4399-52-4 [RN]
6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin-6,12,18-trione, 1,7,13-trimethyl-4,10,16-tris(1-methylethyl)- [ACD/Index Name]
Cyclic trilactone of o-thymotic acid
MFCD00075324
tri-o-thymotide
AC1LXIX7
AGN-PC-0K988E
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC02149568 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 275.2±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 10.49
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 707427.38
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 707427.38
Polar Surface Area: 79 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

Click to predict properties on the Chemicalize site


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