2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol

C19H50O7Si5 — CID 163469828

About 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol

2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (PubChem CID 163469828) has the molecular formula C19H50O7Si5 and a molecular weight of 531.03 g/mol. Its IUPAC name is 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

Molecular Properties

• Compound Name: 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• PubChem CID: 163469828
• Molecular Formula: C19H50O7Si5
• Molecular Weight: 531.03 g/mol
• Exact Mass: 530.24
• IUPAC Name: 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol
• SMILES: CCCCC[Si](C)(O[SiH](C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C
• InChI: InChI=1S/C19H50O7Si5/c1-11-12-13-16-30(9,24-27(2)23-28(3,4)5)26-31(10,25-29(6,7)8)17-14-15-22-18-19(20)21/h19-21,27H,11-18H2,1-10H3
• InChIKey: GDBPTHOHULKWST-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 86.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.03
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The IUPAC name of 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol (CID 163469828) is 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol.

What is the SMILES notation for 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The canonical SMILES for 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is CCCCC[Si](C)(O[SiH](C)O[Si](C)(C)C)O[Si](C)(CCCOCC(O)O)O[Si](C)(C)C.

What is the InChIKey of 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

The InChIKey is GDBPTHOHULKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H50O7Si5/c1-11-12-13-16-30(9,24-27(2)23-28(3,4)5)26-31(10,25-29(6,7)8)17-14-15-22-18-19(20)21/h19-21,27H,11-18H2,1-10H3.

What are the key properties of 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol?

2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol has a molecular weight of 531.03 g/mol, XLogP of 4.62, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-[methyl-[methyl(trimethylsilyloxy)silyl]oxy-pentylsilyl]oxy-trimethylsilyloxysilyl]propoxy]ethane-1,1-diol is sourced from PubChem (CID 163469828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).