ChemSpider 2D Image | (3R)-12,14-Dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one | C16H22O4

(3R)-12,14-Dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID26387870

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-12,14-Dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-on [German] [ACD/IUPAC Name]
(3R)-12,14-Dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one [ACD/IUPAC Name]
(3R)-12,14-Dihydroxy-3-méthyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododécin-1-one [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclododecin-1-one, 3,4,5,6,7,8,9,10-octahydro-12,14-dihydroxy-3-methyl-, (3R)- [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: 509.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 189.0±17.8 °C
Index of Refraction: 1.530
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2475.22
ACD/KOC (pH 5.5): 9334.58
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1749.23
ACD/KOC (pH 7.4): 6596.73
Polar Surface Area: 67 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 247.1±3.0 cm3

Click to predict properties on the Chemicalize site


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