ethyl 5-acetyl-4-oxopyran-2-carboxylate

C10H10O5 — CID 12689094

IUPACethyl 5-acetyl-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c(C(C)=O)co1
InChIInChI=1S/C10H10O5/c1-3-14-10(13)9-4-8(12)7(5-15-9)6(2)11/h4-5H,3H2,1-2H3
InChIKeyRCUXPAWLXCRHTG-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.02
Rot. Bonds3

About ethyl 5-acetyl-4-oxopyran-2-carboxylate

ethyl 5-acetyl-4-oxopyran-2-carboxylate (PubChem CID 12689094) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is ethyl 5-acetyl-4-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-4-oxopyran-2-carboxylate
PubChem CID12689094
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Nameethyl 5-acetyl-4-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c(C(C)=O)co1
InChIInChI=1S/C10H10O5/c1-3-14-10(13)9-4-8(12)7(5-15-9)6(2)11/h4-5H,3H2,1-2H3
InChIKeyRCUXPAWLXCRHTG-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-4-oxopyran-2-carboxylate?
The IUPAC name of ethyl 5-acetyl-4-oxopyran-2-carboxylate (CID 12689094) is ethyl 5-acetyl-4-oxopyran-2-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-4-oxopyran-2-carboxylate?
The canonical SMILES for ethyl 5-acetyl-4-oxopyran-2-carboxylate is CCOC(=O)c1cc(=O)c(C(C)=O)co1.
What is the InChIKey of ethyl 5-acetyl-4-oxopyran-2-carboxylate?
The InChIKey is RCUXPAWLXCRHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-3-14-10(13)9-4-8(12)7(5-15-9)6(2)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyl-4-oxopyran-2-carboxylate?
ethyl 5-acetyl-4-oxopyran-2-carboxylate has a molecular weight of 210.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-4-oxopyran-2-carboxylate is sourced from PubChem (CID 12689094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).