ChemSpider 2D Image | Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (1R)-1,2-cyclopropanedicarboxylate | C25H42O4

Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (1R)-1,2-cyclopropanedicarboxylate

  • Molecular FormulaC25H42O4
  • Average mass406.599 Da
  • Monoisotopic mass406.308319 Da
  • ChemSpider ID52564491

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R)-1,2-Cyclopropanedicarboxylate de bis[(1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxylic acid, bis[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (1R)- [ACD/Index Name]
96149-00-7 [RN]
Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (1R)-1,2-cyclopropanedicarboxylate [ACD/IUPAC Name]
Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]-(1R)-1,2-cyclopropandicarboxylat [German] [ACD/IUPAC Name]
1,2-CYCLOPROPANEDICARBOXYLIC ACID BIS [(1R, 2S, 5R)]-5-METHYL-2-(1-METHYLETHYL)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 477.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 226.7±20.2 °C
Index of Refraction: 1.496
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 214669.30
ACD/KOC (pH 5.5): 228063.66
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 214669.30
ACD/KOC (pH 7.4): 228063.66
Polar Surface Area: 53 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

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