2-dibutylboranylethynyl(trimethyl)silane

C13H27BSi — CID 22172921

IUPAC2-dibutylboranylethynyl(trimethyl)silane
SMILESCCCCB(C#C[Si](C)(C)C)CCCC
InChIInChI=1S/C13H27BSi/c1-6-8-10-14(11-9-7-2)12-13-15(3,4)5/h6-11H2,1-5H3
InChIKeyNCVSXLHJOMKYGO-UHFFFAOYSA-N
MW222.26 g/mol
LogP4.50
Rot. Bonds6

About 2-dibutylboranylethynyl(trimethyl)silane

2-dibutylboranylethynyl(trimethyl)silane (PubChem CID 22172921) has the molecular formula C13H27BSi and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-dibutylboranylethynyl(trimethyl)silane.

Molecular Properties

Compound Name2-dibutylboranylethynyl(trimethyl)silane
PubChem CID22172921
Molecular FormulaC13H27BSi
Molecular Weight222.26 g/mol
Exact Mass222.20
IUPAC Name2-dibutylboranylethynyl(trimethyl)silane
SMILESCCCCB(C#C[Si](C)(C)C)CCCC
InChIInChI=1S/C13H27BSi/c1-6-8-10-14(11-9-7-2)12-13-15(3,4)5/h6-11H2,1-5H3
InChIKeyNCVSXLHJOMKYGO-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dibutylboranylethynyl(trimethyl)silane?
The IUPAC name of 2-dibutylboranylethynyl(trimethyl)silane (CID 22172921) is 2-dibutylboranylethynyl(trimethyl)silane.
What is the SMILES notation for 2-dibutylboranylethynyl(trimethyl)silane?
The canonical SMILES for 2-dibutylboranylethynyl(trimethyl)silane is CCCCB(C#C[Si](C)(C)C)CCCC.
What is the InChIKey of 2-dibutylboranylethynyl(trimethyl)silane?
The InChIKey is NCVSXLHJOMKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BSi/c1-6-8-10-14(11-9-7-2)12-13-15(3,4)5/h6-11H2,1-5H3.
What are the key properties of 2-dibutylboranylethynyl(trimethyl)silane?
2-dibutylboranylethynyl(trimethyl)silane has a molecular weight of 222.26 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibutylboranylethynyl(trimethyl)silane is sourced from PubChem (CID 22172921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).