ChemSpider 2D Image | (2S,6'R)-7-Chloro-2',4-dimethoxy-6,6'-dimethyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione | C17H17ClO5

(2S,6'R)-7-Chloro-2',4-dimethoxy-6,6'-dimethyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione

  • Molecular FormulaC17H17ClO5
  • Average mass336.767 Da
  • Monoisotopic mass336.076447 Da
  • ChemSpider ID30778631

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6'R)-7-Chloro-2',4-dimethoxy-6,6'-dimethyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclohex[2]ene]-3,4'-dione, 7-chloro-2',4-dimethoxy-6,6'-dimethyl-, (2S,6'R)- [ACD/Index Name]
(2S,6'R)-7-chloro-2',4-dimethoxy-6,6'-dimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
(2S,6'R)-7-chloro-2',4-dimethoxy-6,6'-dimethylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
6-Methyl-griseofulvin

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 221.9±29.1 °C
Index of Refraction: 1.586
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.92
ACD/KOC (pH 5.5): 1928.94
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.92
ACD/KOC (pH 7.4): 1928.94
Polar Surface Area: 62 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 249.1±5.0 cm3

Click to predict properties on the Chemicalize site


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