Found 1 result

Search term: 29814035 (Found by CSID)
ChemSpider 2D Image | (8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione | C14H20O4

(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID29814035

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecin-2,9(1H)-dion [German] [ACD/IUPAC Name]
(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione [ACD/IUPAC Name]
(8aR,12S,12aR)-12-Hydroxy-4-méthyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxécine-2,9(1H)-dione [French] [ACD/IUPAC Name]
2H-3-Benzoxecin-2,9(1H)-dione, 4,5,6,7,8,8a,12,12a-octahydro-12-hydroxy-4-methyl-, (8aR,12S,12aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 180.0±22.2 °C
Index of Refraction: 1.500
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.50
ACD/KOC (pH 5.5): 132.84
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.50
ACD/KOC (pH 7.4): 132.84
Polar Surface Area: 64 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

Click to predict properties on the Chemicalize site


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