ChemSpider 2D Image | (2E,4E,6E,8E,10E,12E,14E)-16-Methoxy-2,6,11,15-tetramethyl-16-oxo-2,4,6,8,10,12,14-hexadecaheptaenoic acid | C21H26O4

(2E,4E,6E,8E,10E,12E,14E)-16-Methoxy-2,6,11,15-tetramethyl-16-oxo-2,4,6,8,10,12,14-hexadecaheptaenoic acid

  • Molecular FormulaC21H26O4
  • Average mass342.429 Da
  • Monoisotopic mass342.183105 Da
  • ChemSpider ID78316878

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E,10E,12E,14E)-16-Methoxy-2,6,11,15-tetramethyl-16-oxo-2,4,6,8,10,12,14-hexadecaheptaenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12E,14E)-16-Methoxy-2,6,11,15-tetramethyl-16-oxo-2,4,6,8,10,12,14-hexadecaheptaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, monomethyl ester, (2E,4E,6E,8E,10E,12E,14E)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10E,12E,14E)-16-méthoxy-2,6,11,15-tétraméthyl-16-oxo-2,4,6,8,10,12,14-hexadécaheptaénoïque [French] [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
25368-09-6 [RN]
8,8'-Diapo-ψ,ψ-carotene-8,8'-dioic acid 8-methyl ester
Crocetin [Wiki]
β-Crocetin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 536.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 183.7±16.1 °C
Index of Refraction: 1.538
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 26.26
ACD/KOC (pH 5.5): 204.14
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.23
Polar Surface Area: 64 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

Click to predict properties on the Chemicalize site


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