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

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

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID30777505

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenediol, 4-methoxy-3-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]- [ACD/Index Name]
4-Methoxy-3-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
4-Méthoxy-3-[(2Z,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-Methoxy-3-[(2Z,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
126398-83-2 [RN]
4-methoxy-3-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,2-diol
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene

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: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 292.1±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: 9.02
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 523816.47
ACD/KOC (pH 5.5): 431863.88
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 519412.94
ACD/KOC (pH 7.4): 428233.34
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

Click to predict properties on the Chemicalize site


Advertisement