CID 158989538

C16H43O5Si5Y — CID 158989538

About CID 158989538

CID 158989538 (PubChem CID 158989538) has the molecular formula C16H43O5Si5Y and a molecular weight of 544.85 g/mol.

Molecular Properties

• Compound Name: CID 158989538
• PubChem CID: 158989538
• Molecular Formula: C16H43O5Si5Y
• Molecular Weight: 544.85 g/mol
• Exact Mass: 544.10
• IUPAC Name: —
• SMILES: C=C.CCCOC[Si](C)(O[Si](C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.[Y]
• InChI: InChI=1S/C14H39O5Si5.C2H4.Y/c1-12-13-15-14-24(11,17-20(2)16-21(3,4)5)19-23(9,10)18-22(6,7)8;1-2;/h12-14H2,1-11H3;1-2H2
• InChIKey: DRWJVFSAHWCWPA-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.85
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 158989538?

The IUPAC name of CID 158989538 (CID 158989538) is not available.

What is the SMILES notation for CID 158989538?

The canonical SMILES for CID 158989538 is C=C.CCCOC[Si](C)(O[Si](C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.[Y].

What is the InChIKey of CID 158989538?

The InChIKey is DRWJVFSAHWCWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H39O5Si5.C2H4.Y/c1-12-13-15-14-24(11,17-20(2)16-21(3,4)5)19-23(9,10)18-22(6,7)8;1-2;/h12-14H2,1-11H3;1-2H2;.

What are the key properties of CID 158989538?

CID 158989538 has a molecular weight of 544.85 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158989538 is sourced from PubChem (CID 158989538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).