CID 136859571

C52H72O4Si4 — CID 136859571

About CID 136859571

CID 136859571 (PubChem CID 136859571) has the molecular formula C52H72O4Si4 and a molecular weight of 873.49 g/mol.

Molecular Properties

• Compound Name: CID 136859571
• PubChem CID: 136859571
• Molecular Formula: C52H72O4Si4
• Molecular Weight: 873.49 g/mol
• Exact Mass: 872.45
• IUPAC Name: —
• SMILES: CCCOc1c2cccc1Cc1cc(C=C([Si](C)C)[Si](C)C)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(C=C([Si](C)C)[Si](C)C)cc(c1OCCC)C2
• InChI: InChI=1S/C52H72O4Si4/c1-13-23-53-49-39-19-17-20-40(49)34-44-28-38(32-48(59(9)10)60(11)12)30-46(52(44)56-26-16-4)36-42-22-18-21-41(50(42)54-24-14-2)35-45-29-37(31-47(57(5)6)58(7)8)27-43(33-39)51(45)55-25-15-3/h17-22,27-32H,13-16,23-26,33-36H2,1-12H3
• InChIKey: MYXVXVWSGVXACX-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.49
LogP ≤ 5	13.46
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 136859571?

The IUPAC name of CID 136859571 (CID 136859571) is not available.

What is the SMILES notation for CID 136859571?

The canonical SMILES for CID 136859571 is CCCOc1c2cccc1Cc1cc(C=C([Si](C)C)[Si](C)C)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(C=C([Si](C)C)[Si](C)C)cc(c1OCCC)C2.

What is the InChIKey of CID 136859571?

The InChIKey is MYXVXVWSGVXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72O4Si4/c1-13-23-53-49-39-19-17-20-40(49)34-44-28-38(32-48(59(9)10)60(11)12)30-46(52(44)56-26-16-4)36-42-22-18-21-41(50(42)54-24-14-2)35-45-29-37(31-47(57(5)6)58(7)8)27-43(33-39)51(45)55-25-15-3/h17-22,27-32H,13-16,23-26,33-36H2,1-12H3.

What are the key properties of CID 136859571?

CID 136859571 has a molecular weight of 873.49 g/mol, XLogP of 13.46, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 136859571 is sourced from PubChem (CID 136859571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).