ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane

C26H58O2Si2 — CID 153321945

IUPACethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
SMILESCCO[Si](C)(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)OCC
InChIInChI=1S/C26H58O2Si2/c1-7-27-29(3,4)25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-30(5,6)28-8-2/h7-26H2,1-6H3
InChIKeyMMDJYIJIVIKATN-UHFFFAOYSA-N
MW458.92 g/mol
LogP9.71
Rot. Bonds23

About ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane

ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane (PubChem CID 153321945) has the molecular formula C26H58O2Si2 and a molecular weight of 458.92 g/mol. Its IUPAC name is ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane.

Molecular Properties

Compound Nameethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
PubChem CID153321945
Molecular FormulaC26H58O2Si2
Molecular Weight458.92 g/mol
Exact Mass458.40
IUPAC Nameethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
SMILESCCO[Si](C)(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)OCC
InChIInChI=1S/C26H58O2Si2/c1-7-27-29(3,4)25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-30(5,6)28-8-2/h7-26H2,1-6H3
InChIKeyMMDJYIJIVIKATN-UHFFFAOYSA-N
XLogP9.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane?
The IUPAC name of ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane (CID 153321945) is ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane.
What is the SMILES notation for ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane?
The canonical SMILES for ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane is CCO[Si](C)(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)OCC.
What is the InChIKey of ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane?
The InChIKey is MMDJYIJIVIKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O2Si2/c1-7-27-29(3,4)25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-30(5,6)28-8-2/h7-26H2,1-6H3.
What are the key properties of ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane?
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane has a molecular weight of 458.92 g/mol, XLogP of 9.71, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane is sourced from PubChem (CID 153321945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).