ChemSpider 2D Image | 7-{[(2E)-6-Hydroxy-7-methoxy-3,7-dimethyl-2-octen-1-yl]oxy}-2H-chromen-2-one | C20H26O5

7-{[(2E)-6-Hydroxy-7-methoxy-3,7-dimethyl-2-octen-1-yl]oxy}-2H-chromen-2-one

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID35015029

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 7-[[(2E)-6-hydroxy-7-methoxy-3,7-dimethyl-2-octen-1-yl]oxy]- [ACD/Index Name]
7-{[(2E)-6-Hydroxy-7-methoxy-3,7-dimethyl-2-octen-1-yl]oxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-{[(2E)-6-Hydroxy-7-methoxy-3,7-dimethyl-2-octen-1-yl]oxy}-2H-chromen-2-one [ACD/IUPAC Name]
7-{[(2E)-6-Hydroxy-7-méthoxy-3,7-diméthyl-2-octén-1-yl]oxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
(R)-7'-O-Methylmarmin
144424-82-8 [RN]
7-{[(2E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-en-1-yl]oxy}-2H-chromen-2-one
7-{[(2E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one
7'-O-Methylmarmin

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 174.6±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 365.65
ACD/KOC (pH 5.5): 2378.20
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 365.65
ACD/KOC (pH 7.4): 2378.20
Polar Surface Area: 65 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 303.9±3.0 cm3

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