3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H24BNO3 — CID 79662775

IUPAC3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESC=C(CC)COc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C16H24BNO3/c1-7-12(2)11-19-14-8-13(9-18-10-14)17-20-15(3,4)16(5,6)21-17/h8-10H,2,7,11H2,1,3-6H3
InChIKeyWIFVTRGMBZZQAI-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.73
Rot. Bonds5

About 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 79662775) has the molecular formula C16H24BNO3 and a molecular weight of 289.18 g/mol. Its IUPAC name is 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID79662775
Molecular FormulaC16H24BNO3
Molecular Weight289.18 g/mol
Exact Mass289.18
IUPAC Name3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESC=C(CC)COc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C16H24BNO3/c1-7-12(2)11-19-14-8-13(9-18-10-14)17-20-15(3,4)16(5,6)21-17/h8-10H,2,7,11H2,1,3-6H3
InChIKeyWIFVTRGMBZZQAI-UHFFFAOYSA-N
XLogP2.73
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 79662775) is 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is C=C(CC)COc1cncc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is WIFVTRGMBZZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO3/c1-7-12(2)11-19-14-8-13(9-18-10-14)17-20-15(3,4)16(5,6)21-17/h8-10H,2,7,11H2,1,3-6H3.
What are the key properties of 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 289.18 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 79662775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).