tributyl(tridec-2-ynoxy)silane

C25H50OSi — CID 531341

IUPACtributyl(tridec-2-ynoxy)silane
SMILESCCCCCCCCCCC#CCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H50OSi/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-19,22-25H2,1-4H3
InChIKeyVJRZXCNAVAKRKK-UHFFFAOYSA-N
MW394.76 g/mol
LogP8.88
Rot. Bonds19

About tributyl(tridec-2-ynoxy)silane

tributyl(tridec-2-ynoxy)silane (PubChem CID 531341) has the molecular formula C25H50OSi and a molecular weight of 394.76 g/mol. Its IUPAC name is tributyl(tridec-2-ynoxy)silane.

Molecular Properties

Compound Nametributyl(tridec-2-ynoxy)silane
PubChem CID531341
Molecular FormulaC25H50OSi
Molecular Weight394.76 g/mol
Exact Mass394.36
IUPAC Nametributyl(tridec-2-ynoxy)silane
SMILESCCCCCCCCCCC#CCO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H50OSi/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-19,22-25H2,1-4H3
InChIKeyVJRZXCNAVAKRKK-UHFFFAOYSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.76
LogP ≤ 58.88
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Diethoxymethyloctadecylsilane
CID 105838
Silane, dodecyldiethoxymethyl-
CID 108922
Dimethyldodecylsilyloxyethane
CID 531757
1-(Dimethyldodecylsilyloxy)butane
CID 531758
Didecyldiethoxysilane
CID 21688959
Dinonyldiethoxysilane
CID 90258978
Didecylethoxy-silane
CID 129808903
But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
1-Triisobutylsilyloxytridec-2-yne
CID 531267
1-Trimethylsilyloxytridec-2-yne
CID 531274
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
2-Dimethyloctylsilyloxybut-3-yne
CID 531295

Frequently Asked Questions

What is the IUPAC name of tributyl(tridec-2-ynoxy)silane?
The IUPAC name of tributyl(tridec-2-ynoxy)silane (CID 531341) is tributyl(tridec-2-ynoxy)silane.
What is the SMILES notation for tributyl(tridec-2-ynoxy)silane?
The canonical SMILES for tributyl(tridec-2-ynoxy)silane is CCCCCCCCCCC#CCO[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(tridec-2-ynoxy)silane?
The InChIKey is VJRZXCNAVAKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50OSi/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-19,22-25H2,1-4H3.
What are the key properties of tributyl(tridec-2-ynoxy)silane?
tributyl(tridec-2-ynoxy)silane has a molecular weight of 394.76 g/mol, XLogP of 8.88, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tridec-2-ynoxy)silane is sourced from PubChem (CID 531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).