ChemSpider 2D Image | (2E,6Z,8E)-3,7-Dimethyl-8-[(4R)-4-methyl-3,4-dihydro-1(2H)-naphthalenylidene]-2,6-octadienoic acid | C21H26O2

(2E,6Z,8E)-3,7-Dimethyl-8-[(4R)-4-methyl-3,4-dihydro-1(2H)-naphthalenylidene]-2,6-octadienoic acid

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID35034285
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2E,6Z,8E)-3,7-Dimethyl-8-[(4R)-4-methyl-3,4-dihydro-1(2H)-naphthalenylidene]-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6Z,8E)-3,7-Dimethyl-8-[(4R)-4-methyl-3,4-dihydro-1(2H)-naphthalinyliden]-2,6-octadiensäure [German] [ACD/IUPAC Name]
(2e,6z,8e)-3,7-Dimethyl-8-[(4r)-4-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene]octa-2,6-Dienoic Acid
2,6-Octadienoic acid, 8-[(4R)-3,4-dihydro-4-methyl-1(2H)-naphthalenylidene]-3,7-dimethyl-, (2E,6Z,8E)- [ACD/Index Name]
Acide (2E,6Z,8E)-3,7-diméthyl-8-[(4R)-4-méthyl-3,4-dihydro-1(2H)-naphtalénylidène]-2,6-octadiénoïque [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: 509.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 389.5±15.2 °C
Index of Refraction: 1.592
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 3788.59
ACD/KOC (pH 5.5): 8885.95
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 68.80
ACD/KOC (pH 7.4): 161.36
Polar Surface Area: 37 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 287.0±3.0 cm3

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