CID 160862895

C18H52B2O4Si6 — CID 160862895

About CID 160862895

CID 160862895 (PubChem CID 160862895) has the molecular formula C18H52B2O4Si6 and a molecular weight of 524.76 g/mol.

Molecular Properties

• Compound Name: CID 160862895
• PubChem CID: 160862895
• Molecular Formula: C18H52B2O4Si6
• Molecular Weight: 524.76 g/mol
• Exact Mass: 524.28
• IUPAC Name: —
• SMILES: C=C[Si](C)(C)O[Si](C)(C)O[SiH](C)C.CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.[2H][B].[2H][B]
• InChI: InChI=1S/C10H28O2Si3.C8H22O2Si3.2BH/c1-9-10-14(5,6)12-15(7,8)11-13(2,3)4;1-8-12(4,5)10-13(6,7)9-11(2)3;;/h9-10H2,1-8H3;8,11H,1H2,2-7H3;2*1H/i;;2*1D
• InChIKey: QGTXSSGPUKOEGS-IQCJOIPSSA-N
• XLogP: 5.51
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.76
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 160862895?

The IUPAC name of CID 160862895 (CID 160862895) is not available.

What is the SMILES notation for CID 160862895?

The canonical SMILES for CID 160862895 is C=C[Si](C)(C)O[Si](C)(C)O[SiH](C)C.CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.[2H][B].[2H][B].

What is the InChIKey of CID 160862895?

The InChIKey is QGTXSSGPUKOEGS-IQCJOIPSSA-N. The full InChI is InChI=1S/C10H28O2Si3.C8H22O2Si3.2BH/c1-9-10-14(5,6)12-15(7,8)11-13(2,3)4;1-8-12(4,5)10-13(6,7)9-11(2)3;;/h9-10H2,1-8H3;8,11H,1H2,2-7H3;2*1H/i;;2*1D.

What are the key properties of CID 160862895?

CID 160862895 has a molecular weight of 524.76 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160862895 is sourced from PubChem (CID 160862895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).