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

C6H8O4 — CID 6917290

IUPACmethyl (Z)-2-hydroxy-4-oxopent-2-enoate
SMILESCOC(=O)/C(O)=C/C(C)=O
InChIInChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3,8H,1-2H3/b5-3-
InChIKeyMDDGCJKFWXCCGN-HYXAFXHYSA-N
MW144.13 g/mol
LogP0.19
Rot. Bonds2

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

methyl (Z)-2-hydroxy-4-oxopent-2-enoate (PubChem CID 6917290) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl (Z)-2-hydroxy-4-oxopent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-hydroxy-4-oxopent-2-enoate
PubChem CID6917290
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl (Z)-2-hydroxy-4-oxopent-2-enoate
SMILESCOC(=O)/C(O)=C/C(C)=O
InChIInChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3,8H,1-2H3/b5-3-
InChIKeyMDDGCJKFWXCCGN-HYXAFXHYSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
CID 12435924
(Z)-2-hydroxy-4-oxopent-2-enoic acid
CID 6508940
Ethyl 2-hydroxy-4-oxopent-2-enoate
CID 5325621
6-(ethoxycarbonyl)-4-oxo-4H-pyran-2-carboxylic acid
CID 13082032
(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
CID 11183026
5-Dimethyl-3-hydroxy-2(5h)-furanone
CID 10931451
methyl (Z)-2-hydroxy-5,5-dimethyl-4-oxohex-2-enoate
CID 58045013
Methyl 3-methyl-oxylacrylate
CID 76615360
Ethyl 5,5,5-trifluoro-4-hydroxy-2-oxo-3-pentenoate
CID 14611890
Methyl 5,5,5-trifluoro-2-hydroxy-4-oxopent-2-enoate
CID 85685649
2-Pentenoic acid, 2-hydroxy-4-oxo-, methyl ester
CID 7061615
(Z)-ethyl 2-hydroxy-5-methyl-4-oxohex-2-enoate
CID 7063793

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The IUPAC name of methyl (Z)-2-hydroxy-4-oxopent-2-enoate (CID 6917290) is methyl (Z)-2-hydroxy-4-oxopent-2-enoate.
What is the SMILES notation for methyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The canonical SMILES for methyl (Z)-2-hydroxy-4-oxopent-2-enoate is COC(=O)/C(O)=C/C(C)=O.
What is the InChIKey of methyl (Z)-2-hydroxy-4-oxopent-2-enoate?
The InChIKey is MDDGCJKFWXCCGN-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3,8H,1-2H3/b5-3-.
What are the key properties of methyl (Z)-2-hydroxy-4-oxopent-2-enoate?
methyl (Z)-2-hydroxy-4-oxopent-2-enoate has a molecular weight of 144.13 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-hydroxy-4-oxopent-2-enoate is sourced from PubChem (CID 6917290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).