ChemSpider 2D Image | 5-[(1E)-2-(4-Carboxycyclohexyl)-1-propen-1-yl]-7-methyl-2-(6-methyl-5-hepten-2-yl)-1,5,8,8a-tetrahydro-4a(2H)-naphthalenecarboxylic acid | C30H44O4

5-[(1E)-2-(4-Carboxycyclohexyl)-1-propen-1-yl]-7-methyl-2-(6-methyl-5-hepten-2-yl)-1,5,8,8a-tetrahydro-4a(2H)-naphthalenecarboxylic acid

  • Molecular FormulaC30H44O4
  • Average mass468.668 Da
  • Monoisotopic mass468.323975 Da
  • ChemSpider ID24623566

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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4a(2H)-Naphthalenecarboxylic acid, 5-[(1E)-2-(4-carboxycyclohexyl)-1-propen-1-yl]-2-(1,5-dimethyl-4-hexen-1-yl)-1,5,8,8a-tetrahydro-7-methyl- [ACD/Index Name]
5-[(1E)-2-(4-Carboxycyclohexyl)-1-propen-1-yl]-7-methyl-2-(6-methyl-5-hepten-2-yl)-1,5,8,8a-tetrahydro-4a(2H)-naphthalenecarboxylic acid [ACD/IUPAC Name]
5-[(1E)-2-(4-Carboxycyclohexyl)-1-propen-1-yl]-7-methyl-2-(6-methyl-5-hepten-2-yl)-1,5,8,8a-tetrahydro-4a(2H)-naphthalincarbonsäure [German] [ACD/IUPAC Name]
Acide 5-[(1E)-2-(4-carboxycyclohexyl)-1-propén-1-yl]-7-méthyl-2-(6-méthyl-5-heptén-2-yl)-1,5,8,8a-tétrahydro-4a(2H)-naphtalènecarboxylique [French] [ACD/IUPAC Name]
MEIOGYNIN A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 334.5±28.0 °C
Index of Refraction: 1.564
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 14797.76
ACD/KOC (pH 5.5): 8979.18
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 31.28
ACD/KOC (pH 7.4): 18.98
Polar Surface Area: 75 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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