ChemSpider 2D Image | [(6E,10Z)-2,6,10,16-Tetramethyl-2,6,10,15-heptadecatetraene-13,13-diyl]bis(phosphonic acid) | C21H38O6P2

[(6E,10Z)-2,6,10,16-Tetramethyl-2,6,10,15-heptadecatetraene-13,13-diyl]bis(phosphonic acid)

  • Molecular FormulaC21H38O6P2
  • Average mass448.470 Da
  • Monoisotopic mass448.214355 Da
  • ChemSpider ID23320141

  • Double-bond stereo - Double-bond stereo

More details:

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

[(6E,10Z)-2,6,10,16-Tetramethyl-2,6,10,15-heptadecatetraen-13,13-diyl]bis(phosphonsäure) [German] [ACD/IUPAC Name]
[(6E,10Z)-2,6,10,16-Tetramethyl-2,6,10,15-heptadecatetraene-13,13-diyl]bis(phosphonic acid) [ACD/IUPAC Name]
[(6E,10Z)-2,6,10,16-tetramethylheptadeca-2,6,10,15-tetraene-13,13-diyl]bis(phosphonic acid)
Acide [(6E,10Z)-2,6,10,16-tétraméthyl-2,6,10,15-heptadécatétraène-13,13-diyl]bis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [(3Z,7E)-4,8,12-trimethyl-1-(3-methyl-2-buten-1-yl)-3,7,11-tridecatrien-1-ylidene]bis- [ACD/Index Name]
[4,8,12-trimethyl-1-(3-methyl-but-2-enyl)-1-phosphono-trideca-3,7,11-trienyl]-phosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL264692/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 339.5±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 387.2±3.0 cm3

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