ChemSpider 2D Image | (5aR,6S)-6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehyde | C15H20O3

(5aR,6S)-6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehyde

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID58816548

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5aR,6S)-6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]inden-1a,2(1H)-dicarbaldehyd [German] [ACD/IUPAC Name]
(5aR,6S)-6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehyde [ACD/IUPAC Name]
(5aR,6S)-6-Hydroxy-4,4,6a-triméthyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indène-1a,2(1H)-dicarbaldéhyde [French] [ACD/IUPAC Name]
Cycloprop[f]indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-6-hydroxy-4,4,6a-trimethyl-, (5aR,6S)- [ACD/Index Name]
(1AS,5AR,6S,6AS)-6-HYDROXY-4,4,6A-TRIMETHYL-1H,1AH,3H,4H,5H,5AH,6H,6AH-CYCLOPROPA[F]INDENE-1A,2-DICARBALDEHYDE
(1AS,5AR,6S,6AS)-6-HYDROXY-4,4,6A-TRIMETHYL-1H,3H,5H,5AH,6H-CYCLOPROPA[F]INDENE-1A,2-DICARBALDEHYDE
121843-89-8 [RN]
Isomerulidial

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

Density: 1.2±0.1 g/cm3
Boiling Point: 379.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 197.3±24.4 °C
Index of Refraction: 1.561
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.56
ACD/KOC (pH 5.5): 363.97
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.56
ACD/KOC (pH 7.4): 363.97
Polar Surface Area: 54 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 207.0±5.0 cm3

Click to predict properties on the Chemicalize site


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