4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc

C10H14O6Zn — CID 174812080

IUPAC4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc
SMILESC=CC(=O)C(O)COC(=O)C(C)CC(=O)O.[Zn]
InChIInChI=1S/C10H14O6.Zn/c1-3-7(11)8(12)5-16-10(15)6(2)4-9(13)14;/h3,6,8,12H,1,4-5H2,2H3,(H,13,14);
InChIKeyJMXQODHVUQGDSA-UHFFFAOYSA-N
MW295.61 g/mol
LogP-0.25
Rot. Bonds7

About 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc

4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc (PubChem CID 174812080) has the molecular formula C10H14O6Zn and a molecular weight of 295.61 g/mol. Its IUPAC name is 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc.

Molecular Properties

Compound Name4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc
PubChem CID174812080
Molecular FormulaC10H14O6Zn
Molecular Weight295.61 g/mol
Exact Mass294.01
IUPAC Name4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc
SMILESC=CC(=O)C(O)COC(=O)C(C)CC(=O)O.[Zn]
InChIInChI=1S/C10H14O6.Zn/c1-3-7(11)8(12)5-16-10(15)6(2)4-9(13)14;/h3,6,8,12H,1,4-5H2,2H3,(H,13,14);
InChIKeyJMXQODHVUQGDSA-UHFFFAOYSA-N
XLogP-0.25
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxy-3-oxopent-4-enoxy)-4-oxobutanoic acid
CID 174755756
3-methyl-4-oxo-4-(2,3,3-trifluoropropoxy)butanoic acid
CID 87964538
ethane;4-ethoxy-3-methyl-4-oxobutanoic acid
CID 122506118
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
ethene;(E)-4-ethenyl-3-methylhex-4-enoic acid
CID 165405192
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
2-hydroxybutanedioic acid;methyl prop-2-enoate
CID 174899831
3-methylbutanoic acid;prop-2-enamide
CID 146306740
4,7-dihydroxyoct-1-en-3-one
CID 174876046
(3R,4E)-4-ethenyl-3-methylhepta-4,6-dienoic acid
CID 145439672
2-(2-methyl-3-prop-2-enoyloxypropyl)butanedioic acid
CID 175164546

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc?
The IUPAC name of 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc (CID 174812080) is 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc.
What is the SMILES notation for 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc?
The canonical SMILES for 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc is C=CC(=O)C(O)COC(=O)C(C)CC(=O)O.[Zn].
What is the InChIKey of 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc?
The InChIKey is JMXQODHVUQGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6.Zn/c1-3-7(11)8(12)5-16-10(15)6(2)4-9(13)14;/h3,6,8,12H,1,4-5H2,2H3,(H,13,14);.
What are the key properties of 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc?
4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc has a molecular weight of 295.61 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-oxopent-4-enoxy)-3-methyl-4-oxobutanoic acid;zinc is sourced from PubChem (CID 174812080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).