methyl 2-methoxy-4-oxobut-3-enoate

C6H8O4 — CID 141152651

IUPACmethyl 2-methoxy-4-oxobut-3-enoate
SMILESCOC(=O)C(C=C=O)OC
InChIInChI=1S/C6H8O4/c1-9-5(3-4-7)6(8)10-2/h3,5H,1-2H3
InChIKeyAEWRXTJDBBXMLI-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.44
Rot. Bonds3

About methyl 2-methoxy-4-oxobut-3-enoate

methyl 2-methoxy-4-oxobut-3-enoate (PubChem CID 141152651) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 2-methoxy-4-oxobut-3-enoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-oxobut-3-enoate
PubChem CID141152651
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl 2-methoxy-4-oxobut-3-enoate
SMILESCOC(=O)C(C=C=O)OC
InChIInChI=1S/C6H8O4/c1-9-5(3-4-7)6(8)10-2/h3,5H,1-2H3
InChIKeyAEWRXTJDBBXMLI-UHFFFAOYSA-N
XLogP-0.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-oxobut-3-enoate?
The IUPAC name of methyl 2-methoxy-4-oxobut-3-enoate (CID 141152651) is methyl 2-methoxy-4-oxobut-3-enoate.
What is the SMILES notation for methyl 2-methoxy-4-oxobut-3-enoate?
The canonical SMILES for methyl 2-methoxy-4-oxobut-3-enoate is COC(=O)C(C=C=O)OC.
What is the InChIKey of methyl 2-methoxy-4-oxobut-3-enoate?
The InChIKey is AEWRXTJDBBXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-5(3-4-7)6(8)10-2/h3,5H,1-2H3.
What are the key properties of methyl 2-methoxy-4-oxobut-3-enoate?
methyl 2-methoxy-4-oxobut-3-enoate has a molecular weight of 144.13 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-oxobut-3-enoate is sourced from PubChem (CID 141152651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).