ChemSpider 2D Image | (8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde | C15H22O2

(8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID30771676

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(8aS)-5,5,8a-Triméthyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphtalènedicarbaldéhyde [French] [ACD/IUPAC Name]
(8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde [ACD/IUPAC Name]
(8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalindicarbaldehyd [German] [ACD/IUPAC Name]
1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, (8aS)- [ACD/Index Name]
Polygodial [Wiki]

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 330.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 124.0±22.9 °C
Index of Refraction: 1.570
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 492.11
ACD/KOC (pH 5.5): 2941.60
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 492.11
ACD/KOC (pH 7.4): 2941.60
Polar Surface Area: 34 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 216.0±3.0 cm3

Click to predict properties on the Chemicalize site


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