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Search term: XYMSBGDYSHOQMQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Marianin B | C19H26O3

Marianin B

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID26333937

More details:






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

1-{2-Hydroxy-6-methyl-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-3,3-dimethyl-4-penten-1-on [German] [ACD/IUPAC Name]
1-{2-Hydroxy-6-methyl-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-3,3-dimethyl-4-penten-1-one [ACD/IUPAC Name]
1-{2-Hydroxy-6-méthyl-4-[(3-méthyl-2-butén-1-yl)oxy]phényl}-3,3-diméthyl-4-pentén-1-one [French] [ACD/IUPAC Name]
4-Penten-1-one, 1-[2-hydroxy-6-methyl-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-3,3-dimethyl- [ACD/Index Name]
Marianin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 441.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 151.1±22.2 °C
Index of Refraction: 1.525
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9428.58
ACD/KOC (pH 5.5): 24301.97
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6111.44
ACD/KOC (pH 7.4): 15752.09
Polar Surface Area: 47 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

Click to predict properties on the Chemicalize site






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