2-oxostibanyloxyethanol

C2H5O3Sb — CID 174421694

About 2-oxostibanyloxyethanol

2-oxostibanyloxyethanol (PubChem CID 174421694) has the molecular formula C2H5O3Sb and a molecular weight of 198.82 g/mol. Its IUPAC name is 2-oxostibanyloxyethanol.

Molecular Properties

• Compound Name: 2-oxostibanyloxyethanol
• PubChem CID: 174421694
• Molecular Formula: C2H5O3Sb
• Molecular Weight: 198.82 g/mol
• Exact Mass: 197.93
• IUPAC Name: 2-oxostibanyloxyethanol
• SMILES: O=[Sb]OCCO
• InChI: InChI=1S/C2H5O2.O.Sb/c3-1-2-4;;/h3H,1-2H2;;/q-1;;+1
• InChIKey: OXEVXIWXGRBIBM-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.82
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-oxostibanyloxyethanol?

The IUPAC name of 2-oxostibanyloxyethanol (CID 174421694) is 2-oxostibanyloxyethanol.

What is the SMILES notation for 2-oxostibanyloxyethanol?

The canonical SMILES for 2-oxostibanyloxyethanol is O=[Sb]OCCO.

What is the InChIKey of 2-oxostibanyloxyethanol?

The InChIKey is OXEVXIWXGRBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2.O.Sb/c3-1-2-4;;/h3H,1-2H2;;/q-1;;+1.

What are the key properties of 2-oxostibanyloxyethanol?

2-oxostibanyloxyethanol has a molecular weight of 198.82 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxostibanyloxyethanol is sourced from PubChem (CID 174421694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).