1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate

C29H58O7Si3 — CID 159715562

About 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate

1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate (PubChem CID 159715562) has the molecular formula C29H58O7Si3 and a molecular weight of 603.03 g/mol. Its IUPAC name is 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate.

Molecular Properties

• Compound Name: 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate
• PubChem CID: 159715562
• Molecular Formula: C29H58O7Si3
• Molecular Weight: 603.03 g/mol
• Exact Mass: 602.35
• IUPAC Name: 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate
• SMILES: CCCC[Si](C)(C)CO[Si](C)(C)O[Si](C)(C)CCCOC(O)CC.CCc1ccc(C(=O)OCCOC)cc1
• InChI: InChI=1S/C17H42O4Si3.C12H16O3/c1-9-11-14-22(3,4)16-20-24(7,8)21-23(5,6)15-12-13-19-17(18)10-2;1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h17-18H,9-16H2,1-8H3;4-7H,3,8-9H2,1-2H3
• InChIKey: MZJPIGJCHBNXOF-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.03
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	1
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 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate?

The IUPAC name of 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate (CID 159715562) is 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate.

What is the SMILES notation for 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate?

The canonical SMILES for 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate is CCCC[Si](C)(C)CO[Si](C)(C)O[Si](C)(C)CCCOC(O)CC.CCc1ccc(C(=O)OCCOC)cc1.

What is the InChIKey of 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate?

The InChIKey is MZJPIGJCHBNXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O4Si3.C12H16O3/c1-9-11-14-22(3,4)16-20-24(7,8)21-23(5,6)15-12-13-19-17(18)10-2;1-3-10-4-6-11(7-5-10)12(13)15-9-8-14-2/h17-18H,9-16H2,1-8H3;4-7H,3,8-9H2,1-2H3.

What are the key properties of 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate?

1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate has a molecular weight of 603.03 g/mol, XLogP of 7.16, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate is sourced from PubChem (CID 159715562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).