[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane

C41H92O2Si4 — CID 123368483

About [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane

[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane (PubChem CID 123368483) has the molecular formula C41H92O2Si4 and a molecular weight of 729.53 g/mol. Its IUPAC name is [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane.

Molecular Properties

• Compound Name: [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane
• PubChem CID: 123368483
• Molecular Formula: C41H92O2Si4
• Molecular Weight: 729.53 g/mol
• Exact Mass: 728.62
• IUPAC Name: [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane
• SMILES: CC(C)(CC(C)(C)O[Si](C)(C)C)C[Si](C)(C)C.CCCCCCCCCCCCCCCCC(C)(C(C)(C)C[Si](=O)CC)[Si](C)(C)C
• InChI: InChI=1S/C27H58OSi2.C14H34OSi2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(5,30(6,7)8)26(3,4)25-29(28)10-2;1-13(2,12-16(5,6)7)11-14(3,4)15-17(8,9)10/h9-25H2,1-8H3;11-12H2,1-10H3
• InChIKey: YRXDGPUDKNBYHT-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 26
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.53
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane?

The IUPAC name of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane (CID 123368483) is [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane.

What is the SMILES notation for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane?

The canonical SMILES for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane is CC(C)(CC(C)(C)O[Si](C)(C)C)C[Si](C)(C)C.CCCCCCCCCCCCCCCCC(C)(C(C)(C)C[Si](=O)CC)[Si](C)(C)C.

What is the InChIKey of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane?

The InChIKey is YRXDGPUDKNBYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58OSi2.C14H34OSi2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(5,30(6,7)8)26(3,4)25-29(28)10-2;1-13(2,12-16(5,6)7)11-14(3,4)15-17(8,9)10/h9-25H2,1-8H3;11-12H2,1-10H3.

What are the key properties of [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane?

[1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane has a molecular weight of 729.53 g/mol, XLogP of 15.80, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane is sourced from PubChem (CID 123368483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).