ChemSpider 2D Image | Methyl 7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]heptanoate | C18H28O5

Methyl 7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]heptanoate

  • Molecular FormulaC18H28O5
  • Average mass324.412 Da
  • Monoisotopic mass324.193665 Da
  • ChemSpider ID18513303

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Cyclopentene-1-heptanoic acid, 5-oxo-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (3R)- [ACD/Index Name]
60934-42-1 [RN]
7-[(3R)-5-Oxo-3-(tétrahydro-2H-pyran-2-yloxy)-1-cyclopentén-1-yl]heptanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-((3R)-5-oxo-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopent-1-en-1-yl)heptanoate
Methyl 7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]heptanoate [ACD/IUPAC Name]
Methyl-7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]heptanoat [German] [ACD/IUPAC Name]
(4R)-2-(6-methoxycarbonylhexyl)-4-(tetrahydropyran-2-yloxy)cyclopent-2-enone
[60934-42-1] [RN]
METHYL 7-[(3R)-3-(OXAN-2-YLOXY)-5-OXOCYCLOPENT-1-EN-1-YL]HEPTANOATE
methyl 7-[(3R)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 229.0±16.7 °C
Index of Refraction: 1.499
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.56
ACD/KOC (pH 5.5): 679.73
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.56
ACD/KOC (pH 7.4): 679.73
Polar Surface Area: 62 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


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