ChemSpider 2D Image | Tetrakis(2-methyl-2-propanyl) (3aR,6aR)-2,5-dimethoxy-3a,6a-dimethyl-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate | C32H50O10

Tetrakis(2-methyl-2-propanyl) (3aR,6aR)-2,5-dimethoxy-3a,6a-dimethyl-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID321750

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3aR,6aR)-2,5-Diméthoxy-3a,6a-diméthyl-1,3a,4,6a-tétrahydro-1,3,4,6-pentalènetétracarboxylate de tétrakis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dimethoxy-3a,6a-dimethyl-, tetrakis(1,1-dimethylethyl) ester, (3aR,6aR)- [ACD/Index Name]
Tetrakis(2-methyl-2-propanyl) (3aR,6aR)-2,5-dimethoxy-3a,6a-dimethyl-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate [ACD/IUPAC Name]
Tetrakis(2-methyl-2-propanyl)-(3aR,6aR)-2,5-dimethoxy-3a,6a-dimethyl-1,3a,4,6a-tetrahydro-1,3,4,6-pentalentetracarboxylat [German] [ACD/IUPAC Name]
ZINC05882743

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

NCI60_008363 [DBID]
NSC626438 [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: 620.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 253.5±31.5 °C
Index of Refraction: 1.504
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 107950.60
ACD/KOC (pH 5.5): 139431.53
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 107950.60
ACD/KOC (pH 7.4): 139431.53
Polar Surface Area: 124 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 526.6±5.0 cm3

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