ChemSpider 2D Image | (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate | C36H64O2

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate

  • Molecular FormulaC36H64O2
  • Average mass528.892 Da
  • Monoisotopic mass528.490601 Da
  • ChemSpider ID128434436

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate [ACD/IUPAC Name]
(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl-(7Z,10Z,13Z)-7,10,13-hexadecatrienoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z)-7,10,13-Hexadécatriénoate de (2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yle [French] [ACD/IUPAC Name]
7,10,13-Hexadecatrienoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (7Z,10Z,13Z)- [ACD/Index Name]
(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(7Z,10Z,13Z)-hexadecatrienoate phytyl ester
  • Miscellaneous

    • Chemical Class:

      A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of all-cis-7,10,13-hexadecatrienoic acid. ChEBI CHEBI:177029

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

Density: 0.9±0.1 g/cm3
Boiling Point: 582.0±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 55.3±22.6 °C
Index of Refraction: 1.479
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 15.21
ACD/LogD (pH 5.5): 12.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 601.7±3.0 cm3

Click to predict properties on the Chemicalize site


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