tert-butyl-ethoxy-hexadecyl-methoxysilane

C23H50O2Si — CID 18990634

IUPACtert-butyl-ethoxy-hexadecyl-methoxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C23H50O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(24-6,25-8-2)23(3,4)5/h7-22H2,1-6H3
InChIKeyXADXNSYGGIRTOC-UHFFFAOYSA-N
MW386.74 g/mol
LogP8.39
Rot. Bonds18

About tert-butyl-ethoxy-hexadecyl-methoxysilane

tert-butyl-ethoxy-hexadecyl-methoxysilane (PubChem CID 18990634) has the molecular formula C23H50O2Si and a molecular weight of 386.74 g/mol. Its IUPAC name is tert-butyl-ethoxy-hexadecyl-methoxysilane.

Molecular Properties

Compound Nametert-butyl-ethoxy-hexadecyl-methoxysilane
PubChem CID18990634
Molecular FormulaC23H50O2Si
Molecular Weight386.74 g/mol
Exact Mass386.36
IUPAC Nametert-butyl-ethoxy-hexadecyl-methoxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C23H50O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(24-6,25-8-2)23(3,4)5/h7-22H2,1-6H3
InChIKeyXADXNSYGGIRTOC-UHFFFAOYSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 58.39
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 tert-butyl-ethoxy-hexadecyl-methoxysilane?
The IUPAC name of tert-butyl-ethoxy-hexadecyl-methoxysilane (CID 18990634) is tert-butyl-ethoxy-hexadecyl-methoxysilane.
What is the SMILES notation for tert-butyl-ethoxy-hexadecyl-methoxysilane?
The canonical SMILES for tert-butyl-ethoxy-hexadecyl-methoxysilane is CCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-hexadecyl-methoxysilane?
The InChIKey is XADXNSYGGIRTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(24-6,25-8-2)23(3,4)5/h7-22H2,1-6H3.
What are the key properties of tert-butyl-ethoxy-hexadecyl-methoxysilane?
tert-butyl-ethoxy-hexadecyl-methoxysilane has a molecular weight of 386.74 g/mol, XLogP of 8.39, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-hexadecyl-methoxysilane is sourced from PubChem (CID 18990634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).