2-dicyclohexylboranylethynyl(trimethyl)silane

C17H31BSi — CID 22173041

IUPAC2-dicyclohexylboranylethynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31BSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3
InChIKeyYGNXZUUPVQMTJT-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.57
Rot. Bonds2

About 2-dicyclohexylboranylethynyl(trimethyl)silane

2-dicyclohexylboranylethynyl(trimethyl)silane (PubChem CID 22173041) has the molecular formula C17H31BSi and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-dicyclohexylboranylethynyl(trimethyl)silane.

Molecular Properties

Compound Name2-dicyclohexylboranylethynyl(trimethyl)silane
PubChem CID22173041
Molecular FormulaC17H31BSi
Molecular Weight274.33 g/mol
Exact Mass274.23
IUPAC Name2-dicyclohexylboranylethynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31BSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3
InChIKeyYGNXZUUPVQMTJT-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.57
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-dicyclohexylboranylethynyl(trimethyl)silane?
The IUPAC name of 2-dicyclohexylboranylethynyl(trimethyl)silane (CID 22173041) is 2-dicyclohexylboranylethynyl(trimethyl)silane.
What is the SMILES notation for 2-dicyclohexylboranylethynyl(trimethyl)silane?
The canonical SMILES for 2-dicyclohexylboranylethynyl(trimethyl)silane is C[Si](C)(C)C#CB(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-dicyclohexylboranylethynyl(trimethyl)silane?
The InChIKey is YGNXZUUPVQMTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31BSi/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3.
What are the key properties of 2-dicyclohexylboranylethynyl(trimethyl)silane?
2-dicyclohexylboranylethynyl(trimethyl)silane has a molecular weight of 274.33 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dicyclohexylboranylethynyl(trimethyl)silane is sourced from PubChem (CID 22173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).