CID 159370772

C6H10O4Sn — CID 159370772

IUPAC—
SMILESCCOC(=O)C(=O)OCC.[Sn]
InChIInChI=1S/C6H10O4.Sn/c1-3-9-5(7)6(8)10-4-2;/h3-4H2,1-2H3;
InChIKeyLJSFRXGBGQLPGV-UHFFFAOYSA-N
MW264.85 g/mol
LogP-0.27
Rot. Bonds2

About CID 159370772

CID 159370772 (PubChem CID 159370772) has the molecular formula C6H10O4Sn and a molecular weight of 264.85 g/mol.

Molecular Properties

Compound NameCID 159370772
PubChem CID159370772
Molecular FormulaC6H10O4Sn
Molecular Weight264.85 g/mol
Exact Mass265.96
IUPAC Name—
SMILESCCOC(=O)C(=O)OCC.[Sn]
InChIInChI=1S/C6H10O4.Sn/c1-3-9-5(7)6(8)10-4-2;/h3-4H2,1-2H3;
InChIKeyLJSFRXGBGQLPGV-UHFFFAOYSA-N
XLogP-0.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.85
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159370772?
The IUPAC name of CID 159370772 (CID 159370772) is not available.
What is the SMILES notation for CID 159370772?
The canonical SMILES for CID 159370772 is CCOC(=O)C(=O)OCC.[Sn].
What is the InChIKey of CID 159370772?
The InChIKey is LJSFRXGBGQLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.Sn/c1-3-9-5(7)6(8)10-4-2;/h3-4H2,1-2H3;.
What are the key properties of CID 159370772?
CID 159370772 has a molecular weight of 264.85 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159370772 is sourced from PubChem (CID 159370772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).