ChemSpider 2D Image | tuberatolide A | C18H26O3

tuberatolide A

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID26385358

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5R)-5-[(2E)-2-Methyl-6-oxo-2-hepten-1-yl]-3-(4-methyl-3-penten-1-yl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(2E)-2-Methyl-6-oxo-2-hepten-1-yl]-3-(4-methyl-3-penten-1-yl)-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-[(2E)-2-Méthyl-6-oxo-2-heptén-1-yl]-3-(4-méthyl-3-pentén-1-yl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2E)-2-methyl-6-oxo-2-hepten-1-yl]-3-(4-methyl-3-penten-1-yl)-, (5R)- [ACD/Index Name]
tuberatolide A
(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 443.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 194.1±25.4 °C
Index of Refraction: 1.492
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.13
ACD/KOC (pH 5.5): 2229.56
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.13
ACD/KOC (pH 7.4): 2229.56
Polar Surface Area: 43 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 291.7±3.0 cm3

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