methyl (Z)-5-hydroxy-4-oxopent-2-enoate

C6H8O4 — CID 89113366

IUPACmethyl (Z)-5-hydroxy-4-oxopent-2-enoate
SMILESCOC(=O)/C=C\C(=O)CO
InChIInChI=1S/C6H8O4/c1-10-6(9)3-2-5(8)4-7/h2-3,7H,4H2,1H3/b3-2-
InChIKeyOLBMRRMLQLFXCQ-IHWYPQMZSA-N
MW144.13 g/mol
LogP-0.72
Rot. Bonds3

About methyl (Z)-5-hydroxy-4-oxopent-2-enoate

methyl (Z)-5-hydroxy-4-oxopent-2-enoate (PubChem CID 89113366) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl (Z)-5-hydroxy-4-oxopent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-hydroxy-4-oxopent-2-enoate
PubChem CID89113366
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl (Z)-5-hydroxy-4-oxopent-2-enoate
SMILESCOC(=O)/C=C\C(=O)CO
InChIInChI=1S/C6H8O4/c1-10-6(9)3-2-5(8)4-7/h2-3,7H,4H2,1H3/b3-2-
InChIKeyOLBMRRMLQLFXCQ-IHWYPQMZSA-N
XLogP-0.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-hydroxy-4-oxopent-2-enoate?
The IUPAC name of methyl (Z)-5-hydroxy-4-oxopent-2-enoate (CID 89113366) is methyl (Z)-5-hydroxy-4-oxopent-2-enoate.
What is the SMILES notation for methyl (Z)-5-hydroxy-4-oxopent-2-enoate?
The canonical SMILES for methyl (Z)-5-hydroxy-4-oxopent-2-enoate is COC(=O)/C=C\C(=O)CO.
What is the InChIKey of methyl (Z)-5-hydroxy-4-oxopent-2-enoate?
The InChIKey is OLBMRRMLQLFXCQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H8O4/c1-10-6(9)3-2-5(8)4-7/h2-3,7H,4H2,1H3/b3-2-.
What are the key properties of methyl (Z)-5-hydroxy-4-oxopent-2-enoate?
methyl (Z)-5-hydroxy-4-oxopent-2-enoate has a molecular weight of 144.13 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-hydroxy-4-oxopent-2-enoate is sourced from PubChem (CID 89113366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).