CID 58059369

C29H65O12Si3 — CID 58059369

About CID 58059369

CID 58059369 (PubChem CID 58059369) has the molecular formula C29H65O12Si3 and a molecular weight of 690.08 g/mol.

Molecular Properties

• Compound Name: CID 58059369
• PubChem CID: 58059369
• Molecular Formula: C29H65O12Si3
• Molecular Weight: 690.08 g/mol
• Exact Mass: 689.38
• IUPAC Name: —
• SMILES: CC(C)[Si](C)(C)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)C
• InChI: InChI=1S/C29H65O12Si3/c1-29(2)43(5,6)41-44(7,40-42(3)4)28-8-10-31-12-14-33-16-18-35-20-22-37-24-26-39-27-25-38-23-21-36-19-17-34-15-13-32-11-9-30/h29-30H,8-28H2,1-7H3
• InChIKey: ZUYPYIIGWVFGRG-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 35
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.08
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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 CID 58059369?

The IUPAC name of CID 58059369 (CID 58059369) is not available.

What is the SMILES notation for CID 58059369?

The canonical SMILES for CID 58059369 is CC(C)[Si](C)(C)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)C.

What is the InChIKey of CID 58059369?

The InChIKey is ZUYPYIIGWVFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65O12Si3/c1-29(2)43(5,6)41-44(7,40-42(3)4)28-8-10-31-12-14-33-16-18-35-20-22-37-24-26-39-27-25-38-23-21-36-19-17-34-15-13-32-11-9-30/h29-30H,8-28H2,1-7H3.

What are the key properties of CID 58059369?

CID 58059369 has a molecular weight of 690.08 g/mol, XLogP of 3.49, 35 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58059369 is sourced from PubChem (CID 58059369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).