ethyl 4-ethoxy-6-oxopyran-3-carboxylate

C10H12O5 — CID 14591481

IUPACethyl 4-ethoxy-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(=O)cc1OCC
InChIInChI=1S/C10H12O5/c1-3-13-8-5-9(11)15-6-7(8)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyGMNZGPFSYFOSPY-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.22
Rot. Bonds4

About ethyl 4-ethoxy-6-oxopyran-3-carboxylate

ethyl 4-ethoxy-6-oxopyran-3-carboxylate (PubChem CID 14591481) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 4-ethoxy-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-6-oxopyran-3-carboxylate
PubChem CID14591481
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameethyl 4-ethoxy-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(=O)cc1OCC
InChIInChI=1S/C10H12O5/c1-3-13-8-5-9(11)15-6-7(8)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyGMNZGPFSYFOSPY-UHFFFAOYSA-N
XLogP1.22
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-6-oxopyran-3-carboxylate?
The IUPAC name of ethyl 4-ethoxy-6-oxopyran-3-carboxylate (CID 14591481) is ethyl 4-ethoxy-6-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-6-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-6-oxopyran-3-carboxylate is CCOC(=O)c1coc(=O)cc1OCC.
What is the InChIKey of ethyl 4-ethoxy-6-oxopyran-3-carboxylate?
The InChIKey is GMNZGPFSYFOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-13-8-5-9(11)15-6-7(8)10(12)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxy-6-oxopyran-3-carboxylate?
ethyl 4-ethoxy-6-oxopyran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-6-oxopyran-3-carboxylate is sourced from PubChem (CID 14591481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).