ChemSpider 2D Image | (1aR,7R,7aR,10aS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl acetate | C17H22O5

(1aR,7R,7aR,10aS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl acetate

  • Molecular FormulaC17H22O5
  • Average mass306.354 Da
  • Monoisotopic mass306.146729 Da
  • ChemSpider ID58149602

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1aR,7R,7aR,10aS)-1a,5-Dimethyl-8-methylen-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl-acetat [German] [ACD/IUPAC Name]
(1aR,7R,7aR,10aS)-1a,5-Dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl acetate [ACD/IUPAC Name]
Acétate de (1aR,7R,7aR,10aS)-1a,5-diméthyl-8-méthylène-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-décahydrooxiréno[9,10]cyclodéca[1,2-b]furan-7-yle [French] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 7-(acetyloxy)-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,7R,7aR,10aS)- [ACD/Index Name]
41059-80-7 [RN]
lipiferolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 444.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 196.3±28.8 °C
Index of Refraction: 1.531
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.05
ACD/KOC (pH 5.5): 461.88
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.05
ACD/KOC (pH 7.4): 461.88
Polar Surface Area: 65 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 255.9±5.0 cm3

Click to predict properties on the Chemicalize site


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