2-acetyl-4-methyl-3-oxopentanoic acid;silver

C8H12AgO4 — CID 118364857

IUPAC2-acetyl-4-methyl-3-oxopentanoic acid;silver
SMILESCC(=O)C(C(=O)O)C(=O)C(C)C.[Ag]
InChIInChI=1S/C8H12O4.Ag/c1-4(2)7(10)6(5(3)9)8(11)12;/h4,6H,1-3H3,(H,11,12);
InChIKeyCIKQICFDAUNPGZ-UHFFFAOYSA-N
MW280.05 g/mol
LogP0.50
Rot. Bonds4

About 2-acetyl-4-methyl-3-oxopentanoic acid;silver

2-acetyl-4-methyl-3-oxopentanoic acid;silver (PubChem CID 118364857) has the molecular formula C8H12AgO4 and a molecular weight of 280.05 g/mol. Its IUPAC name is 2-acetyl-4-methyl-3-oxopentanoic acid;silver.

Molecular Properties

Compound Name2-acetyl-4-methyl-3-oxopentanoic acid;silver
PubChem CID118364857
Molecular FormulaC8H12AgO4
Molecular Weight280.05 g/mol
Exact Mass278.98
IUPAC Name2-acetyl-4-methyl-3-oxopentanoic acid;silver
SMILESCC(=O)C(C(=O)O)C(=O)C(C)C.[Ag]
InChIInChI=1S/C8H12O4.Ag/c1-4(2)7(10)6(5(3)9)8(11)12;/h4,6H,1-3H3,(H,11,12);
InChIKeyCIKQICFDAUNPGZ-UHFFFAOYSA-N
XLogP0.50
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-3-oxobutanoic acid;hydrate
CID 162326533
2-acetylpropanedioic acid;azanide;methane;platinum(2+)
CID 158389858
acetic acid;2,4-dimethylpentan-3-one
CID 87250045
2-methylpropanoic acid
CID 173073412
2-acetyl-4,4-dibutoxy-3-oxobutanoic acid
CID 150375391
azane;2-methylpropanoic acid;hydrate
CID 161320294
3-acetylpentane-2,4-dione;hafnium
CID 87389102
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-methyl-3-oxopentanoic acid;silver?
The IUPAC name of 2-acetyl-4-methyl-3-oxopentanoic acid;silver (CID 118364857) is 2-acetyl-4-methyl-3-oxopentanoic acid;silver.
What is the SMILES notation for 2-acetyl-4-methyl-3-oxopentanoic acid;silver?
The canonical SMILES for 2-acetyl-4-methyl-3-oxopentanoic acid;silver is CC(=O)C(C(=O)O)C(=O)C(C)C.[Ag].
What is the InChIKey of 2-acetyl-4-methyl-3-oxopentanoic acid;silver?
The InChIKey is CIKQICFDAUNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.Ag/c1-4(2)7(10)6(5(3)9)8(11)12;/h4,6H,1-3H3,(H,11,12);.
What are the key properties of 2-acetyl-4-methyl-3-oxopentanoic acid;silver?
2-acetyl-4-methyl-3-oxopentanoic acid;silver has a molecular weight of 280.05 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-methyl-3-oxopentanoic acid;silver is sourced from PubChem (CID 118364857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).