methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate

C10H12O5 — CID 134855401

IUPACmethyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate
SMILESCCCc1oc(=O)cc(O)c1C(=O)OC
InChIInChI=1S/C10H12O5/c1-3-4-7-9(10(13)14-2)6(11)5-8(12)15-7/h5,11H,3-4H2,1-2H3
InChIKeyHCIJZZYZMXFWHU-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.08
Rot. Bonds3

About methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate

methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate (PubChem CID 134855401) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate
PubChem CID134855401
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate
SMILESCCCc1oc(=O)cc(O)c1C(=O)OC
InChIInChI=1S/C10H12O5/c1-3-4-7-9(10(13)14-2)6(11)5-8(12)15-7/h5,11H,3-4H2,1-2H3
InChIKeyHCIJZZYZMXFWHU-UHFFFAOYSA-N
XLogP1.08
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate (CID 134855401) is methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate is CCCc1oc(=O)cc(O)c1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate?
The InChIKey is HCIJZZYZMXFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-4-7-9(10(13)14-2)6(11)5-8(12)15-7/h5,11H,3-4H2,1-2H3.
What are the key properties of methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate?
methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate is sourced from PubChem (CID 134855401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).