ChemSpider 2D Image | 1,3-Benzenediol, 4-methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)- | C27H40O3

1,3-Benzenediol, 4-methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID24702336

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 4-methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
1,3-Benzenediol, 4-methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]- [ACD/Index Name]
126398-85-4 [RN]
4-Methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-Méthoxy-5-[(2E,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-Methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
4-methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,3-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL484444/

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: 547.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 285.1±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 372456.00
ACD/KOC (pH 5.5): 338328.69
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 370231.88
ACD/KOC (pH 7.4): 336308.38
Polar Surface Area: 50 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 413.9±3.0 cm3

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