ChemSpider 2D Image | 2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzenediol | C27H40O3

2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzenediol

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID35516702

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Benzenediol, 2-[(2E,6E,10E)-12-hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl- [ACD/Index Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-1,4-benzenediol [ACD/IUPAC Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]-6-méthyl-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(2E,6E,10E)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-6-methyl-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: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 244.3±24.7 °C
Index of Refraction: 1.551
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 188371.56
ACD/KOC (pH 5.5): 207697.36
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 188263.64
ACD/KOC (pH 7.4): 207578.36
Polar Surface Area: 61 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 404.1±3.0 cm3

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