hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane

C22H56O8Si5 — CID 140840489

About hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane

hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane (PubChem CID 140840489) has the molecular formula C22H56O8Si5 and a molecular weight of 589.11 g/mol. Its IUPAC name is hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane.

Molecular Properties

• Compound Name: hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane
• PubChem CID: 140840489
• Molecular Formula: C22H56O8Si5
• Molecular Weight: 589.11 g/mol
• Exact Mass: 588.28
• IUPAC Name: hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane
• SMILES: CCCCCCCC[Si](C)(O[Si](C)(OC)O[Si](C)(C)O[Si](O)(OC)OC)[Si](C)(O)CCCCCC
• InChI: InChI=1S/C22H56O8Si5/c1-11-13-15-17-18-20-22-33(9,32(8,23)21-19-16-14-12-2)30-34(10,25-3)28-31(6,7)29-35(24,26-4)27-5/h23-24H,11-22H2,1-10H3
• InChIKey: WMGALRMESRXKSI-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.11
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane?

The IUPAC name of hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane (CID 140840489) is hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane.

What is the SMILES notation for hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane?

The canonical SMILES for hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane is CCCCCCCC[Si](C)(O[Si](C)(OC)O[Si](C)(C)O[Si](O)(OC)OC)[Si](C)(O)CCCCCC.

What is the InChIKey of hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane?

The InChIKey is WMGALRMESRXKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H56O8Si5/c1-11-13-15-17-18-20-22-33(9,32(8,23)21-19-16-14-12-2)30-34(10,25-3)28-31(6,7)29-35(24,26-4)27-5/h23-24H,11-22H2,1-10H3.

What are the key properties of hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane?

hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane has a molecular weight of 589.11 g/mol, XLogP of 5.84, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for hexyl-hydroxy-[[[[hydroxy(dimethoxy)silyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]oxy-methyl-octylsilyl]-methylsilane is sourced from PubChem (CID 140840489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).