tributyl(4-methylpentoxy)silane

C18H40OSi — CID 618276

IUPACtributyl(4-methylpentoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCCC(C)C
InChIInChI=1S/C18H40OSi/c1-6-9-15-20(16-10-7-2,17-11-8-3)19-14-12-13-18(4)5/h18H,6-17H2,1-5H3
InChIKeyMFJXUHHCUNWUCG-UHFFFAOYSA-N
MW300.60 g/mol
LogP6.78
Rot. Bonds14

About tributyl(4-methylpentoxy)silane

tributyl(4-methylpentoxy)silane (PubChem CID 618276) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is tributyl(4-methylpentoxy)silane.

Molecular Properties

Compound Nametributyl(4-methylpentoxy)silane
PubChem CID618276
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Nametributyl(4-methylpentoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)OCCCC(C)C
InChIInChI=1S/C18H40OSi/c1-6-9-15-20(16-10-7-2,17-11-8-3)19-14-12-13-18(4)5/h18H,6-17H2,1-5H3
InChIKeyMFJXUHHCUNWUCG-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.78
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(4-methylpentoxy)silane?
The IUPAC name of tributyl(4-methylpentoxy)silane (CID 618276) is tributyl(4-methylpentoxy)silane.
What is the SMILES notation for tributyl(4-methylpentoxy)silane?
The canonical SMILES for tributyl(4-methylpentoxy)silane is CCCC[Si](CCCC)(CCCC)OCCCC(C)C.
What is the InChIKey of tributyl(4-methylpentoxy)silane?
The InChIKey is MFJXUHHCUNWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40OSi/c1-6-9-15-20(16-10-7-2,17-11-8-3)19-14-12-13-18(4)5/h18H,6-17H2,1-5H3.
What are the key properties of tributyl(4-methylpentoxy)silane?
tributyl(4-methylpentoxy)silane has a molecular weight of 300.60 g/mol, XLogP of 6.78, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-methylpentoxy)silane is sourced from PubChem (CID 618276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).