ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (9Z,12Z)-9,12-bis{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-8,11-dioxotricyclo[,6~]dodecane-7,10-dicarboxylate | C32H48O10

Bis(2-methyl-2-propanyl) (9Z,12Z)-9,12-bis{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-8,11-dioxotricyclo[,6]dodecane-7,10-dicarboxylate

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID4534143
  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Bis{hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}-8,11-dioxotricyclo[,6]dodécane-7,10-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3a,7a-Propano-1H-indene-1,10-dicarboxylic acid, 3,8-bis[(1,1-dimethylethoxy)hydroxymethylene]hexahydro-2,9-dioxo-, bis(1,1-dimethylethyl) ester, (3Z,8Z)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (9Z,12Z)-9,12-bis{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-8,11-dioxotricyclo[,6]dodecane-7,10-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(9Z,12Z)-9,12-bis{hydroxy[(2-methyl-2-propanyl)oxy]methylen}-8,11-dioxotricyclo[,6]dodecan-7,10-dicarboxylat [German] [ACD/IUPAC Name]

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

AIDS160359 [DBID]
AIDS-160359 [DBID]
NCI60_008295 [DBID]
NSC626177 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 200.2±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 3524.01
ACD/KOC (pH 5.5): 4470.35
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 80.78
ACD/KOC (pH 7.4): 102.48
Polar Surface Area: 146 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 490.4±5.0 cm3

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