ChemSpider 2D Image | (3aR,4S,6Z,9E,11S,11aR)-11-Hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-4-yl (2E)-2-methyl-2-butenoate | C20H24O6

(3aR,4S,6Z,9E,11S,11aR)-11-Hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-4-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID28499898
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2E)-2-Méthyl-2-buténoate de (3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-diméthyl-3-méthylène-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,6Z,9E,11S,11aR)-11-Hydroxy-6,10-dimethyl-3-methylen-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(3aR,4S,6Z,9E,11S,11aR)-11-Hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,4S,6Z,9E,11S,11aR)-2,3,3a,4,5,8,11,11a-octahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca[b]furan-4-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 197.1±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.90
ACD/KOC (pH 5.5): 563.45
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.90
ACD/KOC (pH 7.4): 563.44
Polar Surface Area: 90 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site






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