methyl 3-methoxy-4-oxopyran-2-carboxylate

C8H8O5 — CID 89253888

IUPACmethyl 3-methoxy-4-oxopyran-2-carboxylate
SMILESCOC(=O)c1occc(=O)c1OC
InChIInChI=1S/C8H8O5/c1-11-6-5(9)3-4-13-7(6)8(10)12-2/h3-4H,1-2H3
InChIKeyFEVQHGJLITXKPH-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.44
Rot. Bonds2

About methyl 3-methoxy-4-oxopyran-2-carboxylate

methyl 3-methoxy-4-oxopyran-2-carboxylate (PubChem CID 89253888) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 3-methoxy-4-oxopyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-oxopyran-2-carboxylate
PubChem CID89253888
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl 3-methoxy-4-oxopyran-2-carboxylate
SMILESCOC(=O)c1occc(=O)c1OC
InChIInChI=1S/C8H8O5/c1-11-6-5(9)3-4-13-7(6)8(10)12-2/h3-4H,1-2H3
InChIKeyFEVQHGJLITXKPH-UHFFFAOYSA-N
XLogP0.44
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-oxopyran-2-carboxylate?
The IUPAC name of methyl 3-methoxy-4-oxopyran-2-carboxylate (CID 89253888) is methyl 3-methoxy-4-oxopyran-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-4-oxopyran-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-4-oxopyran-2-carboxylate is COC(=O)c1occc(=O)c1OC.
What is the InChIKey of methyl 3-methoxy-4-oxopyran-2-carboxylate?
The InChIKey is FEVQHGJLITXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-11-6-5(9)3-4-13-7(6)8(10)12-2/h3-4H,1-2H3.
What are the key properties of methyl 3-methoxy-4-oxopyran-2-carboxylate?
methyl 3-methoxy-4-oxopyran-2-carboxylate has a molecular weight of 184.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-oxopyran-2-carboxylate is sourced from PubChem (CID 89253888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).