CID 172760784

C5H8LiNaO3 — CID 172760784

IUPAC—
SMILESCOC(=O)CC(C)=O.[Li].[Na]
InChIInChI=1S/C5H8O3.Li.Na/c1-4(6)3-5(7)8-2;;/h3H2,1-2H3;;
InChIKeyLQRPPQSASPIQAR-UHFFFAOYSA-N
MW146.05 g/mol
LogP-0.62
Rot. Bonds2

About CID 172760784

CID 172760784 (PubChem CID 172760784) has the molecular formula C5H8LiNaO3 and a molecular weight of 146.05 g/mol.

Molecular Properties

Compound NameCID 172760784
PubChem CID172760784
Molecular FormulaC5H8LiNaO3
Molecular Weight146.05 g/mol
Exact Mass146.05
IUPAC Name—
SMILESCOC(=O)CC(C)=O.[Li].[Na]
InChIInChI=1S/C5H8O3.Li.Na/c1-4(6)3-5(7)8-2;;/h3H2,1-2H3;;
InChIKeyLQRPPQSASPIQAR-UHFFFAOYSA-N
XLogP-0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.05
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172760784?
The IUPAC name of CID 172760784 (CID 172760784) is not available.
What is the SMILES notation for CID 172760784?
The canonical SMILES for CID 172760784 is COC(=O)CC(C)=O.[Li].[Na].
What is the InChIKey of CID 172760784?
The InChIKey is LQRPPQSASPIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.Li.Na/c1-4(6)3-5(7)8-2;;/h3H2,1-2H3;;.
What are the key properties of CID 172760784?
CID 172760784 has a molecular weight of 146.05 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172760784 is sourced from PubChem (CID 172760784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).