ChemSpider 2D Image | Methyl (5Z)-7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]-5-heptenoate | C18H26O5

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

  • Molecular FormulaC18H26O5
  • Average mass322.396 Da
  • Monoisotopic mass322.178009 Da
  • ChemSpider ID28536393

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5Z)-7-[(3R)-5-Oxo-3-(tétrahydro-2H-pyran-2-yloxy)-1-cyclopentén-1-yl]-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
(Z)-Methyl 7-((3R)-5-oxo-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
5-Heptenoic acid, 7-[(3R)-5-oxo-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-cyclopenten-1-yl]-, methyl ester, (5Z)- [ACD/Index Name]
64812-88-0 [RN]
Methyl (5Z)-7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]-5-heptenoate [ACD/IUPAC Name]
Methyl-(5Z)-7-[(3R)-5-oxo-3-(tetrahydro-2H-pyran-2-yloxy)-1-cyclopenten-1-yl]-5-heptenoat [German] [ACD/IUPAC Name]
(Z)methyl 7-((3R)-5-oxo-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
(Z)-Methyl7-((3R)-5-oxo-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
(Z)-METHYL-7-((3R)-5-OXO-3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPENT-1-EN-1-YL)HEPT-5-ENOATE
[64812-88-0] [RN]
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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: 463.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 240.7±16.7 °C
Index of Refraction: 1.512
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.63
ACD/KOC (pH 5.5): 561.19
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.63
ACD/KOC (pH 7.4): 561.19
Polar Surface Area: 62 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

Click to predict properties on the Chemicalize site


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