ChemSpider 2D Image | (2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-6-(Acetoxymethyl)-2,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,4-pentadienoic acid | C20H28O4

(2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-6-(Acetoxymethyl)-2,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,4-pentadienoic acid

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID35517050

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-6-(Acetoxymethyl)-2,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-6-(Acetoxymethyl)-2,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(1S,2S,4aR,6S,8R,8aS)-6-[(acetyloxy)methyl]-1,2,4a,5,6,7,8,8a-octahydro-2,8-dimethyl-1-naphthalenyl]-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-6-(acétoxyméthyl)-2,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
Tanzawaic acid N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 160.2±17.5 °C
Index of Refraction: 1.536
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 221.07
ACD/KOC (pH 5.5): 836.56
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 13.19
Polar Surface Area: 64 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 306.4±3.0 cm3

Click to predict properties on the Chemicalize site


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