ChemSpider 2D Image | 7-Butyl-6,8-dihydroxy-3-[(3Z)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one | C18H24O4

7-Butyl-6,8-dihydroxy-3-[(3Z)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC18H24O4
  • Average mass304.381 Da
  • Monoisotopic mass304.167450 Da
  • ChemSpider ID129158261

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-2-Benzopyran-1-one, 7-butyl-3,4-dihydro-6,8-dihydroxy-3-[(3Z)-3-penten-1-yl]- [ACD/Index Name]
7-Butyl-6,8-dihydroxy-3-[(3Z)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
7-Butyl-6,8-dihydroxy-3-[(3Z)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
7-Butyl-6,8-dihydroxy-3-[(3Z)-3-pentén-1-yl]-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 189.5±20.6 °C
Index of Refraction: 1.557
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5414.35
ACD/KOC (pH 5.5): 16367.67
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5158.84
ACD/KOC (pH 7.4): 15595.25
Polar Surface Area: 67 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

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