ChemSpider 2D Image | (3aR,5R,7R,8aS,9R,10aR)-5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one | C17H26O5

(3aR,5R,7R,8aS,9R,10aR)-5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one

  • Molecular FormulaC17H26O5
  • Average mass310.385 Da
  • Monoisotopic mass310.178009 Da
  • ChemSpider ID58816891

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3aR,5R,7R,8aS,9R,10aR)-5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylendecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,5R,7R,8aS,9R,10aR)-5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one [ACD/IUPAC Name]
(3aR,5R,7R,8aS,9R,10aR)-5-Éthoxy-7-hydroxy-4a,9-diméthyl-3-méthylènedécahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one [French] [ACD/IUPAC Name]
Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one, 5-ethoxydecahydro-7-hydroxy-4a,9-dimethyl-3-methylene-, (3aR,5R,7R,8aS,9R,10aR)- [ACD/Index Name]
25062-29-7 [RN]
Hymenolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 167.4±22.2 °C
Index of Refraction: 1.524
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 161.49
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.53
ACD/KOC (pH 7.4): 161.49
Polar Surface Area: 65 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 264.4±5.0 cm3

Click to predict properties on the Chemicalize site


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