Found 2 results

Search term: PHGYXZVTNMJFGJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2R,7aS)-2-methoxy-6-methyl-4-oxo-5-pentyl-2a,4,4a,7b-tetrahydro-1,3,7-trioxacyclopenta[cd]indene-7a(2H)-carboxylate | C17H24O7

Methyl (2R,7aS)-2-methoxy-6-methyl-4-oxo-5-pentyl-2a,4,4a,7b-tetrahydro-1,3,7-trioxacyclopenta[cd]indene-7a(2H)-carboxylate

  • Molecular FormulaC17H24O7
  • Average mass340.368 Da
  • Monoisotopic mass340.152191 Da
  • ChemSpider ID30650978

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(2R,7aS)-2-Méthoxy-6-méthyl-4-oxo-5-pentyl-2a,4,4a,7b-tétrahydro-1,3,7-trioxacyclopenta[cd]indène-7a(2H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,3,7-Trioxacyclopent[cd]indene-7a(2H)-carboxylic acid, 2a,4,4a,7b-tetrahydro-2-methoxy-6-methyl-4-oxo-5-pentyl-, methyl ester, (2R,7aS)- [ACD/Index Name]
Methyl (2R,7aS)-2-methoxy-6-methyl-4-oxo-5-pentyl-2a,4,4a,7b-tetrahydro-1,3,7-trioxacyclopenta[cd]indene-7a(2H)-carboxylate [ACD/IUPAC Name]
Methyl-(2R,7aS)-2-methoxy-6-methyl-4-oxo-5-pentyl-2a,4,4a,7b-tetrahydro-1,3,7-trioxacyclopenta[cd]inden-7a(2H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 209.0±28.8 °C
Index of Refraction: 1.520
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.84
ACD/KOC (pH 5.5): 704.67
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.84
ACD/KOC (pH 7.4): 704.67
Polar Surface Area: 80 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 272.8±5.0 cm3

Click to predict properties on the Chemicalize site


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