CID 57064791

C5H9O3Si — CID 57064791

About CID 57064791

CID 57064791 (PubChem CID 57064791) has the molecular formula C5H9O3Si and a molecular weight of 145.21 g/mol.

Molecular Properties

• Compound Name: CID 57064791
• PubChem CID: 57064791
• Molecular Formula: C5H9O3Si
• Molecular Weight: 145.21 g/mol
• Exact Mass: 145.03
• IUPAC Name: —
• SMILES: [Si]OCCOCC1CO1
• InChI: InChI=1S/C5H9O3Si/c9-8-2-1-6-3-5-4-7-5/h5H,1-4H2
• InChIKey: QWDWKHGEPKEZCL-UHFFFAOYSA-N
• XLogP: -0.50
• TPSA: 30.99 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.21
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	0
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 57064791?

The IUPAC name of CID 57064791 (CID 57064791) is not available.

What is the SMILES notation for CID 57064791?

The canonical SMILES for CID 57064791 is [Si]OCCOCC1CO1.

What is the InChIKey of CID 57064791?

The InChIKey is QWDWKHGEPKEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3Si/c9-8-2-1-6-3-5-4-7-5/h5H,1-4H2.

What are the key properties of CID 57064791?

CID 57064791 has a molecular weight of 145.21 g/mol, XLogP of -0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 57064791 is sourced from PubChem (CID 57064791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).