ethyl 4-ethyl-6-oxopyran-2-carboxylate

C10H12O4 — CID 14516695

IUPACethyl 4-ethyl-6-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(CC)cc(=O)o1
InChIInChI=1S/C10H12O4/c1-3-7-5-8(10(12)13-4-2)14-9(11)6-7/h5-6H,3-4H2,1-2H3
InChIKeyBZLFUIBZUHIXPL-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.38
Rot. Bonds3

About ethyl 4-ethyl-6-oxopyran-2-carboxylate

ethyl 4-ethyl-6-oxopyran-2-carboxylate (PubChem CID 14516695) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 4-ethyl-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-oxopyran-2-carboxylate
PubChem CID14516695
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 4-ethyl-6-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(CC)cc(=O)o1
InChIInChI=1S/C10H12O4/c1-3-7-5-8(10(12)13-4-2)14-9(11)6-7/h5-6H,3-4H2,1-2H3
InChIKeyBZLFUIBZUHIXPL-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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Related Compounds

Di-O-acetylkojic acid
CID 96492
Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
6-Acetyl-3-methylpyran-2-one
CID 10080571
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
Citreopyrone C
CID 10678671
6-Acetyl-4-methoxy-3-methylpyran-2-one
CID 15172623
methyl (E)-3-(5-methyl-6-oxopyran-2-yl)but-2-enoate
CID 21762755
Nigrosporapyrone D
CID 42611989
Fusarilactone B
CID 139584208
4-ethyl-2H-pyran-2-one-6-carboxylic acid
CID 14516694
Iso-arabidopaldehyde
CID 102515091

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-oxopyran-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-oxopyran-2-carboxylate (CID 14516695) is ethyl 4-ethyl-6-oxopyran-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-oxopyran-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-oxopyran-2-carboxylate is CCOC(=O)c1cc(CC)cc(=O)o1.
What is the InChIKey of ethyl 4-ethyl-6-oxopyran-2-carboxylate?
The InChIKey is BZLFUIBZUHIXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-7-5-8(10(12)13-4-2)14-9(11)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethyl-6-oxopyran-2-carboxylate?
ethyl 4-ethyl-6-oxopyran-2-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 4-ethyl-6-oxopyran-2-carboxylate is sourced from PubChem (CID 14516695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).