CID 58050979

C29H65O12Si3 — CID 58050979

About CID 58050979

CID 58050979 (PubChem CID 58050979) has the molecular formula C29H65O12Si3 and a molecular weight of 690.08 g/mol.

Molecular Properties

• Compound Name: CID 58050979
• PubChem CID: 58050979
• Molecular Formula: C29H65O12Si3
• Molecular Weight: 690.08 g/mol
• Exact Mass: 689.38
• IUPAC Name: —
• SMILES: CCC[Si](C)(C)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)C
• InChI: InChI=1S/C29H65O12Si3/c1-7-28-43(4,5)41-44(6,40-42(2)3)29-8-10-31-12-14-33-16-18-35-20-22-37-24-26-39-27-25-38-23-21-36-19-17-34-15-13-32-11-9-30/h30H,7-29H2,1-6H3
• InChIKey: KZLBSLIVRUPVJY-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 36
• 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 58050979?

The IUPAC name of CID 58050979 (CID 58050979) is not available.

What is the SMILES notation for CID 58050979?

The canonical SMILES for CID 58050979 is CCC[Si](C)(C)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)C.

What is the InChIKey of CID 58050979?

The InChIKey is KZLBSLIVRUPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65O12Si3/c1-7-28-43(4,5)41-44(6,40-42(2)3)29-8-10-31-12-14-33-16-18-35-20-22-37-24-26-39-27-25-38-23-21-36-19-17-34-15-13-32-11-9-30/h30H,7-29H2,1-6H3.

What are the key properties of CID 58050979?

CID 58050979 has a molecular weight of 690.08 g/mol, XLogP of 3.49, 36 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58050979 is sourced from PubChem (CID 58050979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).