ChemSpider 2D Image | (5S,7R,8S)-7-Hydroxy-4-methoxy-7,8-dimethyl-9-methylene-1,6-dioxaspiro[4.4]non-3-en-2-one | C11H14O5

(5S,7R,8S)-7-Hydroxy-4-methoxy-7,8-dimethyl-9-methylene-1,6-dioxaspiro[4.4]non-3-en-2-one

  • Molecular FormulaC11H14O5
  • Average mass226.226 Da
  • Monoisotopic mass226.084122 Da
  • ChemSpider ID31111239

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,7R,8S)-7-Hydroxy-4-methoxy-7,8-dimethyl-9-methylen-1,6-dioxaspiro[4.4]non-3-en-2-on [German] [ACD/IUPAC Name]
(5S,7R,8S)-7-Hydroxy-4-methoxy-7,8-dimethyl-9-methylene-1,6-dioxaspiro[4.4]non-3-en-2-one [ACD/IUPAC Name]
(5S,7R,8S)-7-Hydroxy-4-méthoxy-7,8-diméthyl-9-méthylène-1,6-dioxaspiro[4.4]non-3-én-2-one [French] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.4]non-3-en-2-one, 7-hydroxy-4-methoxy-7,8-dimethyl-9-methylene-, (5S,7R,8S)- [ACD/Index Name]
960148-59-8 [RN]
Papyracillic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 439.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 175.0±22.2 °C
Index of Refraction: 1.537
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.14
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.14
Polar Surface Area: 65 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

Click to predict properties on the Chemicalize site


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