ChemSpider 2D Image | (2E,4E,6Z,8E)-3,7-Dimethyl-8-(8-methyl-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-octatrienoic acid | C21H24O2

(2E,4E,6Z,8E)-3,7-Dimethyl-8-(8-methyl-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-octatrienoic acid

  • Molecular FormulaC21H24O2
  • Average mass308.414 Da
  • Monoisotopic mass308.177643 Da
  • ChemSpider ID34217981
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E,6Z,8E)-3,7-Dimethyl-8-(8-methyl-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-octatrienoic acid [ACD/IUPAC Name]
(2E,4E,6Z,8E)-3,7-Dimethyl-8-(8-methyl-3,4-dihydro-1(2H)-naphthalinyliden)-2,4,6-octatriensäure [German] [ACD/IUPAC Name]
(2e,4e,6z,8e)-3,7-Dimethyl-8-(8-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid
2,4,6-Octatrienoic acid, 8-(3,4-dihydro-8-methyl-1(2H)-naphthalenylidene)-3,7-dimethyl-, (2E,4E,6Z,8E)- [ACD/Index Name]
Acide (2E,4E,6Z,8E)-3,7-diméthyl-8-(8-méthyl-3,4-dihydro-1(2H)-naphtalénylidène)-2,4,6-octatriénoïque [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: 516.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 394.8±15.2 °C
Index of Refraction: 1.620
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 992.50
ACD/KOC (pH 5.5): 2786.29
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 15.75
ACD/KOC (pH 7.4): 44.21
Polar Surface Area: 37 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

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