ChemSpider 2D Image | (1aS,3aS,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-dicarbaldehyde | C15H20O2

(1aS,3aS,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-dicarbaldehyde

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID114814227

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aS,3aS,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]inden-1a,2(1H)-dicarbaldehyd [German] [ACD/IUPAC Name]
(1aS,3aS,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-dicarbaldehyde [ACD/IUPAC Name]
(1aS,3aS,6aR,6bS)-5,5,6b-Triméthyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indène-1a,2(1H)-dicarbaldéhyde [French] [ACD/IUPAC Name]
Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aR,6bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 120.9±22.9 °C
Index of Refraction: 1.637
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.06
ACD/KOC (pH 5.5): 1122.25
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.06
ACD/KOC (pH 7.4): 1122.25
Polar Surface Area: 34 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

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