ChemSpider 2D Image | 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,2-benzenediol | C46H70O2

3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,2-benzenediol

  • Molecular FormulaC46H70O2
  • Average mass655.047 Da
  • Monoisotopic mass654.537598 Da
  • ChemSpider ID4444382

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenediol, 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]- [ACD/Index Name]
3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octaméthyl-2,6,10,14,18,22,26,30-dotriacontaoctaén-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
2-Octaprenyl-6-hydroxyphenol
3-(all-trans-octaprenyl)benzene-1,2-diol
3-(all-trans-octaprenyl)benzene-1,2-diol|2-octaprenyl-6-hydroxyphenol
3-(all-trans-octaprenyl)benzene-1,2-diol
3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2-diol
3-Octaprenylcatechol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05811 [DBID]
CHEBI:1233 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 732.3±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 260.4±24.2 °C
Index of Refraction: 1.532
Molar Refractivity: 214.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 17.22
ACD/LogD (pH 5.5): 15.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 693.7±3.0 cm3

Click to predict properties on the Chemicalize site


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