ChemSpider 2D Image | 2-[(1S,2S,4aR,8R,8aS)-8-Hydroxy-4a,8-dimethyl-1-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2-naphthalenyl]acrylic acid | C20H30O5

2-[(1S,2S,4aR,8R,8aS)-8-Hydroxy-4a,8-dimethyl-1-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2-naphthalenyl]acrylic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID30657044

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(1S,2S,4aR,8R,8aS)-8-Hydroxy-4a,8-dimethyl-1-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2-naphthalenyl]acrylic acid [ACD/IUPAC Name]
2-[(1S,2S,4aR,8R,8aS)-8-Hydroxy-4a,8-dimethyl-1-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2-naphthalinyl]acrylsäure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-α-methylene-1-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (1S,2S,4aR,8R,8aS)- [ACD/Index Name]
Acide 2-[(1S,2S,4aR,8R,8aS)-8-hydroxy-4a,8-diméthyl-1-{[(2E)-2-méthyl-2-butenoyl]oxy}décahydro-2-naphtalényl]acrylique [French] [ACD/IUPAC 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: 489.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 166.2±20.8 °C
Index of Refraction: 1.532
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 56.68
ACD/KOC (pH 5.5): 302.49
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.81
Polar Surface Area: 84 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

Click to predict properties on the Chemicalize site


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