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

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

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID35034776

  • 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

(3E,6Z,8E)-3,7-Dimethyl-8-[(4S)-4-methyl-3,4-dihydro-1(2H)-naphthalenylidene]-3,6-octadienoic acid [ACD/IUPAC Name]
(3E,6Z,8E)-3,7-Dimethyl-8-[(4S)-4-methyl-3,4-dihydro-1(2H)-naphthalinyliden]-3,6-octadiensäure [German] [ACD/IUPAC Name]
(3e,6z,8e)-3,7-Dimethyl-8-[(4s)-4-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene]octa-3,6-Dienoic Acid
3,6-Octadienoic acid, 8-[(4S)-3,4-dihydro-4-methyl-1(2H)-naphthalenylidene]-3,7-dimethyl-, (3E,6Z,8E)- [ACD/Index Name]
Acide (3E,6Z,8E)-3,7-diméthyl-8-[(4S)-4-méthyl-3,4-dihydro-1(2H)-naphtalénylidène]-3,6-octadiénoïque [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: 504.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 401.1±16.6 °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: 6.42
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 1389.14
ACD/KOC (pH 5.5): 3244.86
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 21.83
ACD/KOC (pH 7.4): 50.99
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

Click to predict properties on the Chemicalize site


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