ChemSpider 2D Image | (3aR,6E,10E,11aS)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate | C20H26O6

(3aR,6E,10E,11aS)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID30810603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E)-4-Hydroxy-2-(hydroxyméthyl)-2-buténoate de (3aR,6E,10E,11aS)-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,6E,10E,11aS)-6,10-Dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-(2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoat [German] [ACD/IUPAC Name]
(3aR,6E,10E,11aS)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,6E,10E,11aS)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 204.0±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.19
ACD/KOC (pH 5.5): 880.14
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.19
ACD/KOC (pH 7.4): 880.14
Polar Surface Area: 93 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 297.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement