5-dimethylstannyl-2,4-dioxopentanoic acid

C7H12O4Sn — CID 173195756

IUPAC5-dimethylstannyl-2,4-dioxopentanoic acid
SMILESC[SnH](C)CC(=O)CC(=O)C(=O)O
InChIInChI=1S/C5H5O4.2CH3.Sn.H/c1-3(6)2-4(7)5(8)9;;;;/h1-2H2,(H,8,9);2*1H3;;
InChIKeyHEANHJOJHDMWMK-UHFFFAOYSA-N
MW278.88 g/mol
LogP0.09
Rot. Bonds5

About 5-dimethylstannyl-2,4-dioxopentanoic acid

5-dimethylstannyl-2,4-dioxopentanoic acid (PubChem CID 173195756) has the molecular formula C7H12O4Sn and a molecular weight of 278.88 g/mol. Its IUPAC name is 5-dimethylstannyl-2,4-dioxopentanoic acid.

Molecular Properties

Compound Name5-dimethylstannyl-2,4-dioxopentanoic acid
PubChem CID173195756
Molecular FormulaC7H12O4Sn
Molecular Weight278.88 g/mol
Exact Mass279.98
IUPAC Name5-dimethylstannyl-2,4-dioxopentanoic acid
SMILESC[SnH](C)CC(=O)CC(=O)C(=O)O
InChIInChI=1S/C5H5O4.2CH3.Sn.H/c1-3(6)2-4(7)5(8)9;;;;/h1-2H2,(H,8,9);2*1H3;;
InChIKeyHEANHJOJHDMWMK-UHFFFAOYSA-N
XLogP0.09
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.88
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

titanium;2,4,6-trioxoheptanoic acid
CID 174769229
5-hydroxy-2,4-dioxopentanoic acid
CID 6326997
2,4-dioxoheptanoic acid
CID 23169167
acetic acid;alumane;2,4-dioxopentanoic acid
CID 175287698
2,4-dioxoheptanedioic acid
CID 54260347
CID 158744301
CID 158744301
2,4,8-trioxononanoic acid
CID 89306169
2,4-dioxopentanoic acid;palladium
CID 87130936
2,4-dioxopentanoic acid;gadolinium
CID 87456221
2,4-dioxopentanoic acid;iridium
CID 87676479
2,4-dioxopentanoic acid;rhodium
CID 87833287
2,4-dioxodecanoic acid
CID 21475711

Frequently Asked Questions

What is the IUPAC name of 5-dimethylstannyl-2,4-dioxopentanoic acid?
The IUPAC name of 5-dimethylstannyl-2,4-dioxopentanoic acid (CID 173195756) is 5-dimethylstannyl-2,4-dioxopentanoic acid.
What is the SMILES notation for 5-dimethylstannyl-2,4-dioxopentanoic acid?
The canonical SMILES for 5-dimethylstannyl-2,4-dioxopentanoic acid is C[SnH](C)CC(=O)CC(=O)C(=O)O.
What is the InChIKey of 5-dimethylstannyl-2,4-dioxopentanoic acid?
The InChIKey is HEANHJOJHDMWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O4.2CH3.Sn.H/c1-3(6)2-4(7)5(8)9;;;;/h1-2H2,(H,8,9);2*1H3;;.
What are the key properties of 5-dimethylstannyl-2,4-dioxopentanoic acid?
5-dimethylstannyl-2,4-dioxopentanoic acid has a molecular weight of 278.88 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylstannyl-2,4-dioxopentanoic acid is sourced from PubChem (CID 173195756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).