tributyl(3-methylbutoxy)silane

C17H38OSi — CID 615254

IUPACtributyl(3-methylbutoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCC(C)C
InChIInChI=1S/C17H38OSi/c1-6-9-14-19(15-10-7-2,16-11-8-3)18-13-12-17(4)5/h17H,6-16H2,1-5H3
InChIKeyJXBWTLXYSQFBQE-UHFFFAOYSA-N
MW286.58 g/mol
LogP6.39
Rot. Bonds13

About tributyl(3-methylbutoxy)silane

tributyl(3-methylbutoxy)silane (PubChem CID 615254) has the molecular formula C17H38OSi and a molecular weight of 286.58 g/mol. Its IUPAC name is tributyl(3-methylbutoxy)silane.

Molecular Properties

Compound Nametributyl(3-methylbutoxy)silane
PubChem CID615254
Molecular FormulaC17H38OSi
Molecular Weight286.58 g/mol
Exact Mass286.27
IUPAC Nametributyl(3-methylbutoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCC(C)C
InChIInChI=1S/C17H38OSi/c1-6-9-14-19(15-10-7-2,16-11-8-3)18-13-12-17(4)5/h17H,6-16H2,1-5H3
InChIKeyJXBWTLXYSQFBQE-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.58
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(3-methylbutoxy)silane?
The IUPAC name of tributyl(3-methylbutoxy)silane (CID 615254) is tributyl(3-methylbutoxy)silane.
What is the SMILES notation for tributyl(3-methylbutoxy)silane?
The canonical SMILES for tributyl(3-methylbutoxy)silane is CCCC[Si](CCCC)(CCCC)OCCC(C)C.
What is the InChIKey of tributyl(3-methylbutoxy)silane?
The InChIKey is JXBWTLXYSQFBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38OSi/c1-6-9-14-19(15-10-7-2,16-11-8-3)18-13-12-17(4)5/h17H,6-16H2,1-5H3.
What are the key properties of tributyl(3-methylbutoxy)silane?
tributyl(3-methylbutoxy)silane has a molecular weight of 286.58 g/mol, XLogP of 6.39, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-methylbutoxy)silane is sourced from PubChem (CID 615254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).