Chemical Properties of pabulenol

pabulenol

InChI
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3/t12-/m0/s1
InChI Key
BVMOMQJYQYBMKL-UHFFFAOYSA-N
Formula
C16H14O5
SMILES
C=C(C)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12
Molecular Weight1
286.28
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Physical Properties

Property Value Unit Source
log10WS -3.17 Relay (1.0) Calculated Property
logPoct/wat 2.855 Crippen Calculated Property
McVol 202.970 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

pabulenol. oxypeucedanin hydrate. 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one. oxypeucedanin methanolate. Oxypeucedanin. (R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate. 8-geranyloxypsoralen. 4-([(2E)-3,7-dimethyl-2,6-octadienyl]oxy)-7h-furo[3,2-g]chromen-7-one. neral oxypeucedaninyl acetal (diastereomer b). geranial oxypeucedaninyl acetal (diastereomer a). geranial oxypeucedaninyl acetal (diastereomer b). neral oxypeucedaninyl acetal (diastereomer a). (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate. Edulisin III. (Z)-Cnidimine.

Find more compounds similar to pabulenol.

Sources

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