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

C10H12O4 — CID 58067138

IUPACethyl 6-ethyl-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(CC)cc1=O
InChIInChI=1S/C10H12O4/c1-3-7-5-9(11)8(6-14-7)10(12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyUPUSHNUKNGOXMD-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.38
Rot. Bonds3

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

ethyl 6-ethyl-4-oxopyran-3-carboxylate (PubChem CID 58067138) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 6-ethyl-4-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-4-oxopyran-3-carboxylate
PubChem CID58067138
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 6-ethyl-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(CC)cc1=O
InChIInChI=1S/C10H12O4/c1-3-7-5-9(11)8(6-14-7)10(12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyUPUSHNUKNGOXMD-UHFFFAOYSA-N
XLogP1.38
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-4-oxopyran-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-4-oxopyran-3-carboxylate (CID 58067138) is ethyl 6-ethyl-4-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-4-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-4-oxopyran-3-carboxylate is CCOC(=O)c1coc(CC)cc1=O.
What is the InChIKey of ethyl 6-ethyl-4-oxopyran-3-carboxylate?
The InChIKey is UPUSHNUKNGOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-7-5-9(11)8(6-14-7)10(12)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethyl-4-oxopyran-3-carboxylate?
ethyl 6-ethyl-4-oxopyran-3-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-4-oxopyran-3-carboxylate is sourced from PubChem (CID 58067138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).