ChemSpider 2D Image | (1R,4aR,6R,8aR)-1-Hydroxy-6,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde | C15H20O3

(1R,4aR,6R,8aR)-1-Hydroxy-6,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID82965458

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4aR,6R,8aR)-1-Hydroxy-6,8a-dimethyl-5-methylen-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalindicarbaldehyd [German] [ACD/IUPAC Name]
(1R,4aR,6R,8aR)-1-Hydroxy-6,8a-diméthyl-5-méthylène-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphtalènedicarbaldéhyde [French] [ACD/IUPAC Name]
(1R,4aR,6R,8aR)-1-Hydroxy-6,8a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde [ACD/IUPAC Name]
1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-6,8a-dimethyl-5-methylene-, (1R,4aR,6R,8aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 389.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 203.5±24.4 °C
Index of Refraction: 1.536
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.60
ACD/KOC (pH 5.5): 577.39
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.60
ACD/KOC (pH 7.4): 577.37
Polar Surface Area: 54 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 220.7±5.0 cm3

Click to predict properties on the Chemicalize site


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