CID 59423600

C19H49O7Si5 — CID 59423600

About CID 59423600

CID 59423600 (PubChem CID 59423600) has the molecular formula C19H49O7Si5 and a molecular weight of 530.02 g/mol.

Molecular Properties

• Compound Name: CID 59423600
• PubChem CID: 59423600
• Molecular Formula: C19H49O7Si5
• Molecular Weight: 530.02 g/mol
• Exact Mass: 529.23
• IUPAC Name: —
• SMILES: COCCCOCCOCCC[Si](C)(O[Si](C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C19H49O7Si5/c1-20-14-12-15-21-17-18-22-16-13-19-31(11,24-27(2)23-28(3,4)5)26-30(9,10)25-29(6,7)8/h12-19H2,1-11H3
• InChIKey: MOQDSGADJGLAKR-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.02
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 59423600?

The IUPAC name of CID 59423600 (CID 59423600) is not available.

What is the SMILES notation for CID 59423600?

The canonical SMILES for CID 59423600 is COCCCOCCOCCC[Si](C)(O[Si](C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of CID 59423600?

The InChIKey is MOQDSGADJGLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H49O7Si5/c1-20-14-12-15-21-17-18-22-16-13-19-31(11,24-27(2)23-28(3,4)5)26-30(9,10)25-29(6,7)8/h12-19H2,1-11H3.

What are the key properties of CID 59423600?

CID 59423600 has a molecular weight of 530.02 g/mol, XLogP of 5.07, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for CID 59423600 is sourced from PubChem (CID 59423600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).