ChemSpider 2D Image | 2-Hydroxy-5-methoxy-6-methyl-3-[(14E)-14-nonadecen-1-yl]-1,4-benzoquinone | C27H44O4

2-Hydroxy-5-methoxy-6-methyl-3-[(14E)-14-nonadecen-1-yl]-1,4-benzoquinone

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID22415929

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-6-methyl-3-[(14E)-14-nonadecen-1-yl]- [ACD/Index Name]
2-Hydroxy-5-methoxy-6-methyl-3-[(14E)-14-nonadecen-1-yl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2-Hydroxy-5-methoxy-6-methyl-3-[(14E)-14-nonadecen-1-yl]-1,4-benzoquinone [ACD/IUPAC Name]
2-Hydroxy-5-méthoxy-6-méthyl-3-[(14E)-14-nonadécén-1-yl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-Hydroxy-5-methoxy-6-methyl-3-[(14E)-nonadec-14-en-1-yl]-1,4-benzoquinone
2-Hydroxy-5-methoxy-6-methyl-3-((E)-nonadec-14-
2-Hydroxy-5-methoxy-6-methyl-3-((E)-nonadec-14-eny
2-hydroxy-5-methoxy-6-methyl-3-((e)-nonadec-14-enyl)[1,4]benzoquinone
2-Hydroxy-5-methoxy-6-methyl-3-((E)-nonadec-14-enyl)-[1,4]benzoquinone

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

CCRIS 4693 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 169.2±23.6 °C
Index of Refraction: 1.506
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 10.27
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 8300.18
ACD/KOC (pH 5.5): 4633.81
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 749.71
ACD/KOC (pH 7.4): 418.55
Polar Surface Area: 64 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 428.6±5.0 cm3

Click to predict properties on the Chemicalize site


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