ChemSpider 2D Image | 4-(Decanoyloxy)-5-methyl-7-oxo-8-(3-oxo-1-propen-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid | C25H36O6

4-(Decanoyloxy)-5-methyl-7-oxo-8-(3-oxo-1-propen-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid

  • Molecular FormulaC25H36O6
  • Average mass432.550 Da
  • Monoisotopic mass432.251190 Da
  • ChemSpider ID26504479

More details:

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

2-Naphthalenecarboxylic acid, 8-(1-formylethenyl)-3,4,4a,5,6,7,8,8a-octahydro-5-methyl-7-oxo-4-[(1-oxodecyl)oxy]- [ACD/Index Name]
4-(Decanoyloxy)-5-methyl-7-oxo-8-(3-oxo-1-propen-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid [ACD/IUPAC Name]
4-(Decanoyloxy)-5-methyl-7-oxo-8-(3-oxo-1-propen-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalincarbonsäure [German] [ACD/IUPAC Name]
Acide 4-(decanoyloxy)-5-méthyl-7-oxo-8-(3-oxo-1-propén-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2-naphtalènecarboxylique [French] [ACD/IUPAC Name]
(4S,4AR,5S,8R,8AS)-4-(DECANOYLOXY)-5-METHYL-7-OXO-8-(3-OXOPROP-1-EN-2-YL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
19037-75-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 193.7±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 411.02
ACD/KOC (pH 5.5): 1154.04
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 6.72
ACD/KOC (pH 7.4): 18.88
Polar Surface Area: 98 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 383.3±5.0 cm3

Click to predict properties on the Chemicalize site


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