ChemSpider 2D Image | 2-demethylmenaquinone-8 | C50H70O2

2-demethylmenaquinone-8

  • Molecular FormulaC50H70O2
  • Average mass703.090 Da
  • Monoisotopic mass702.537598 Da
  • ChemSpider ID4525368
  • Double-bond stereo - Double-bond stereo


More details:






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

1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-, (all-E)-
1,4-Naphthalenedione, 2-[(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]
1,4-Naphthoquinone, 2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-
2-[(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]-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-[(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]-1,4-naphthoquinone [ACD/IUPAC Name]
2-[(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]-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2-demethylmenaquinone-8
(all-E)-2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-1,4-naphthalenedione
1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 757.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 266.0±29.9 °C
Index of Refraction: 1.533
Molar Refractivity: 227.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 18.49
ACD/LogD (pH 5.5): 16.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 34 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 732.7±3.0 cm3

Click to predict properties on the Chemicalize site






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