ChemSpider 2D Image | 2-[(1R,2S,4aS,6S,8aS)-1-(2-Methoxy-2-oxoethyl)-2,6,8a-trimethyl-6-vinyldecahydro-2-naphthalenyl]acrylic acid | C21H32O4

2-[(1R,2S,4aS,6S,8aS)-1-(2-Methoxy-2-oxoethyl)-2,6,8a-trimethyl-6-vinyldecahydro-2-naphthalenyl]acrylic acid

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID35517018

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2-Naphthalenediacetic acid, 6-ethenyldecahydro-2,6,8a-trimethyl-α2-methylene-, 1-methyl ester, (1R,2S,4aS,6S,8aS)- [ACD/Index Name]
2-[(1R,2S,4aS,6S,8aS)-1-(2-Methoxy-2-oxoethyl)-2,6,8a-trimethyl-6-vinyldecahydro-2-naphthalenyl]acrylic acid [ACD/IUPAC Name]
2-[(1R,2S,4aS,6S,8aS)-1-(2-Methoxy-2-oxoethyl)-2,6,8a-trimethyl-6-vinyldecahydro-2-naphthalinyl]acrylsäure [German] [ACD/IUPAC Name]
Acide 2-[(1R,2S,4aS,6S,8aS)-1-(2-méthoxy-2-oxoéthyl)-2,6,8a-triméthyl-6-vinyldécahydro-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: 442.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 144.5±16.7 °C
Index of Refraction: 1.517
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 885.87
ACD/KOC (pH 5.5): 2177.79
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 14.06
ACD/KOC (pH 7.4): 34.57
Polar Surface Area: 64 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

Click to predict properties on the Chemicalize site


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