ChemSpider 2D Image | (3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxy-2-pentanyl)-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one | C15H22O4

(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxy-2-pentanyl)-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID82964314

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxy-2-pentanyl)-6-methyl-3-methylen-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxy-2-pentanyl)-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one [ACD/IUPAC Name]
(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxy-2-pentanyl)-6-méthyl-3-méthylène-3a,4,7,7a-tétrahydro-1-benzofuran-2(3H)-one [French] [ACD/IUPAC Name]
2(3H)-Benzofuranone, 3a,4,7,7a-tetrahydro-4-hydroxy-5-(4-hydroxy-1-methylbutyl)-6-methyl-3-methylene-, (3aR,4S,7aS)- [ACD/Index Name]
(3Ar,4S,7aS)-4-hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
33620-72-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 177.9±22.2 °C
Index of Refraction: 1.540
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.31
ACD/KOC (pH 5.5): 221.92
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.31
ACD/KOC (pH 7.4): 221.92
Polar Surface Area: 67 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 227.2±5.0 cm3

Click to predict properties on the Chemicalize site


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