tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane

C13H25BClNSi — CID 122211909

IUPACtert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane
SMILESCCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl
InChIInChI=1S/C13H25BClNSi/c1-7-9-12-10-8-11-16(14(12)15)17(5,6)13(2,3)4/h8,10-11H,7,9H2,1-6H3
InChIKeyIWOJQMSXLFWZHP-UHFFFAOYSA-N
MW269.70 g/mol
LogP4.81
Rot. Bonds3

About tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane

tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane (PubChem CID 122211909) has the molecular formula C13H25BClNSi and a molecular weight of 269.70 g/mol. Its IUPAC name is tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane
PubChem CID122211909
Molecular FormulaC13H25BClNSi
Molecular Weight269.70 g/mol
Exact Mass269.15
IUPAC Nametert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane
SMILESCCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl
InChIInChI=1S/C13H25BClNSi/c1-7-9-12-10-8-11-16(14(12)15)17(5,6)13(2,3)4/h8,10-11H,7,9H2,1-6H3
InChIKeyIWOJQMSXLFWZHP-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane (CID 122211909) is tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane is CCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl.
What is the InChIKey of tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane?
The InChIKey is IWOJQMSXLFWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BClNSi/c1-7-9-12-10-8-11-16(14(12)15)17(5,6)13(2,3)4/h8,10-11H,7,9H2,1-6H3.
What are the key properties of tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane?
tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane has a molecular weight of 269.70 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane is sourced from PubChem (CID 122211909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).