ChemSpider 2D Image | 3,4-Dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl acetate | C28H40O4

3,4-Dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl acetate

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID30777049

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Benzenetriol, 3-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-, 4-acetate [ACD/Index Name]
3,4-Dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl acetate [ACD/IUPAC Name]
3,4-Dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3,4-dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]phényle [French] [ACD/IUPAC Name]
103538-03-0 [RN]
3,4-dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate
4-Acetoxy-3-geranylgeranyl-1,2-dihydroxybenzene
suillin

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 184.8±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 477974.50
ACD/KOC (pH 5.5): 404434.09
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 465557.72
ACD/KOC (pH 7.4): 393927.72
Polar Surface Area: 67 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 427.5±3.0 cm3

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