tributyl(hexoxy)silane

C18H40OSi — CID 604594

IUPACtributyl(hexoxy)silane
SMILESCCCCCCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H40OSi/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-18H2,1-4H3
InChIKeyWKJWDJHNEBHHIY-UHFFFAOYSA-N
MW300.60 g/mol
LogP6.93
Rot. Bonds15

About tributyl(hexoxy)silane

tributyl(hexoxy)silane (PubChem CID 604594) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is tributyl(hexoxy)silane.

Molecular Properties

Compound Nametributyl(hexoxy)silane
PubChem CID604594
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Nametributyl(hexoxy)silane
SMILESCCCCCCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H40OSi/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-18H2,1-4H3
InChIKeyWKJWDJHNEBHHIY-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tributyl(hexoxy)silane?
The IUPAC name of tributyl(hexoxy)silane (CID 604594) is tributyl(hexoxy)silane.
What is the SMILES notation for tributyl(hexoxy)silane?
The canonical SMILES for tributyl(hexoxy)silane is CCCCCCO[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(hexoxy)silane?
The InChIKey is WKJWDJHNEBHHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40OSi/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-18H2,1-4H3.
What are the key properties of tributyl(hexoxy)silane?
tributyl(hexoxy)silane has a molecular weight of 300.60 g/mol, XLogP of 6.93, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hexoxy)silane is sourced from PubChem (CID 604594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).