ChemSpider 2D Image | (2E,4E)-5-[(1S,2S,4aR,6R,7S,8S,8aS)-7-Hydroxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,4-pentadienoic acid | C18H26O3

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

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID34555868

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E,4E)-5-[(1S,2S,4aR,6R,7S,8S,8aS)-7-Hydroxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-[(1S,2S,4aR,6R,7S,8S,8aS)-7-Hydroxy-2,6,8-trimethyl-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,6R,7S,8S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-2,6,8-trimethyl-1-naphthalenyl]-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-[(1S,2S,4aR,6R,7S,8S,8aS)-7-hydroxy-2,6,8-triméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-2,4-pentadiénoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 458.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 244.9±25.2 °C
Index of Refraction: 1.561
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 25.42
ACD/KOC (pH 5.5): 176.62
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 58 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 265.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement