ChemSpider 2D Image | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-3-methyl-5,6-bis[(~2~H_3_)methyloxy]-1,4-benzenediol | C59H86D6O4

2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-3-methyl-5,6-bis[(2H3)methyloxy]-1,4-benzenediol

  • Molecular FormulaC59H86D6O4
  • Average mass871.396 Da
  • Monoisotopic mass870.737244 Da
  • ChemSpider ID10003623

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

1,4-Benzenediol, 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-3-methyl-5,6-bis(methyl-d3-oxy)- [ACD/Index Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-3-methyl-5,6-bis[(2H3)methyloxy]-1,4-benzenediol [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Décaméthyl-2,6,10,14,18,22,26,30,34,38-tétracontadécaén-1-yl]-3-méthyl-5,6-bis[(2H3)méthyloxy]-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-3-methyl-5,6-bis[(2H3)methyloxy]-1,4-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 866.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 478.1±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 279.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 21.06
ACD/LogD (pH 5.5): 19.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 59 Å2
Polarizability: 110.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 909.9±3.0 cm3

Click to predict properties on the Chemicalize site


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