CID 160689228

C4H6O3Pb — CID 160689228

IUPAC—
SMILESCC(=O)OC(C)=O.[Pb]
InChIInChI=1S/C4H6O3.Pb/c1-3(5)7-4(2)6;/h1-2H3;
InChIKeyRPENVCWUAAFKMH-UHFFFAOYSA-N
MW309.29 g/mol
LogP-0.28
Rot. Bonds

About CID 160689228

CID 160689228 (PubChem CID 160689228) has the molecular formula C4H6O3Pb and a molecular weight of 309.29 g/mol.

Molecular Properties

Compound NameCID 160689228
PubChem CID160689228
Molecular FormulaC4H6O3Pb
Molecular Weight309.29 g/mol
Exact Mass310.01
IUPAC Name—
SMILESCC(=O)OC(C)=O.[Pb]
InChIInChI=1S/C4H6O3.Pb/c1-3(5)7-4(2)6;/h1-2H3;
InChIKeyRPENVCWUAAFKMH-UHFFFAOYSA-N
XLogP-0.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.28
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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CID 161071038
acetyl 2-deuterioacetate
CID 22812327
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Frequently Asked Questions

What is the IUPAC name of CID 160689228?
The IUPAC name of CID 160689228 (CID 160689228) is not available.
What is the SMILES notation for CID 160689228?
The canonical SMILES for CID 160689228 is CC(=O)OC(C)=O.[Pb].
What is the InChIKey of CID 160689228?
The InChIKey is RPENVCWUAAFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.Pb/c1-3(5)7-4(2)6;/h1-2H3;.
What are the key properties of CID 160689228?
CID 160689228 has a molecular weight of 309.29 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160689228 is sourced from PubChem (CID 160689228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).