ChemSpider 2D Image | 2'[hydroxy]heptaprenyl-1',4'-hydroquinon | C41H62O3

2'[hydroxy]heptaprenyl-1',4'-hydroquinon

  • Molecular FormulaC41H62O3
  • Average mass602.929 Da
  • Monoisotopic mass602.469910 Da
  • ChemSpider ID10481040

  • 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,14E,18Z,22E)-19-(hydroxymethyl)-3,7,11,15,23,27-hexamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]- [ACD/Index Name]
2-[(2E,6E,10E,14E,18Z,22E)-19-(Hydroxymethyl)-3,7,11,15,23,27-hexamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-1,4-benzenediol [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18Z,22E)-19-(Hydroxyméthyl)-3,7,11,15,23,27-hexaméthyl-2,6,10,14,18,22,26-octacosaheptaén-1-yl]-1,4-benzènediol [French] [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18Z,22E)-19-(Hydroxymethyl)-3,7,11,15,23,27-hexamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-1,4-benzoldiol [German] [ACD/IUPAC Name]
2'[hydroxy]heptaprenyl-1',4'-hydroquinon

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

Density: 1.0±0.1 g/cm3
Boiling Point: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 266.9±27.5 °C
Index of Refraction: 1.541
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 13.35
ACD/LogD (pH 5.5): 11.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 61 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 615.3±3.0 cm3

Click to predict properties on the Chemicalize site


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