ChemSpider 2D Image | (3aR,4S,7S,9S,10Z,11aS)-7,9-Dihydroxy-10-methyl-3,6-bis(methylene)-2-oxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl (2Z)-2-methyl-2-butenoate | C20H26O6

(3aR,4S,7S,9S,10Z,11aS)-7,9-Dihydroxy-10-methyl-3,6-bis(methylene)-2-oxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID76784406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de (3aR,4S,7S,9S,10Z,11aS)-7,9-dihydroxy-10-méthyl-3,6-diméthylène-2-oxo-2,3,3a,4,5,6,7,8,9,11a-décahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,7S,9S,10Z,11aS)-7,9-Dihydroxy-10-methyl-3,6-bis(methylene)-2-oxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3aR,4S,7S,9S,10Z,11aS)-7,9-Dihydroxy-10-methyl-3,6-dimethylen-2-oxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,4S,7S,9S,10Z,11aS)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester, (2Z)- [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: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 196.6±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.92
ACD/KOC (pH 5.5): 415.21
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.92
ACD/KOC (pH 7.4): 415.21
Polar Surface Area: 93 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

Click to predict properties on the Chemicalize site


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