4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H26BNO2 — CID 134962011

IUPAC4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C16H26BNO2/c1-11-9-12(14(2,3)4)10-13(18-11)17-19-15(5,6)16(7,8)20-17/h9-10H,1-8H3
InChIKeyVSIYCQSJIIKJSG-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.99
Rot. Bonds1

About 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 134962011) has the molecular formula C16H26BNO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID134962011
Molecular FormulaC16H26BNO2
Molecular Weight275.20 g/mol
Exact Mass275.21
IUPAC Name4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C16H26BNO2/c1-11-9-12(14(2,3)4)10-13(18-11)17-19-15(5,6)16(7,8)20-17/h9-10H,1-8H3
InChIKeyVSIYCQSJIIKJSG-UHFFFAOYSA-N
XLogP2.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 134962011) is 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Cc1cc(C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)n1.
What is the InChIKey of 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is VSIYCQSJIIKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO2/c1-11-9-12(14(2,3)4)10-13(18-11)17-19-15(5,6)16(7,8)20-17/h9-10H,1-8H3.
What are the key properties of 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 275.20 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 134962011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).