2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C17H26BNO4 — CID 172644114

IUPAC2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccc(OCC3CCCCO3)n2)OC1(C)C
InChIInChI=1S/C17H26BNO4/c1-16(2)17(3,4)23-18(22-16)14-9-7-10-15(19-14)21-12-13-8-5-6-11-20-13/h7,9-10,13H,5-6,8,11-12H2,1-4H3
InChIKeyYUVFYNVXAOWNNJ-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.33
Rot. Bonds4

About 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172644114) has the molecular formula C17H26BNO4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172644114
Molecular FormulaC17H26BNO4
Molecular Weight319.21 g/mol
Exact Mass319.20
IUPAC Name2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccc(OCC3CCCCO3)n2)OC1(C)C
InChIInChI=1S/C17H26BNO4/c1-16(2)17(3,4)23-18(22-16)14-9-7-10-15(19-14)21-12-13-8-5-6-11-20-13/h7,9-10,13H,5-6,8,11-12H2,1-4H3
InChIKeyYUVFYNVXAOWNNJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172644114) is 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cccc(OCC3CCCCO3)n2)OC1(C)C.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is YUVFYNVXAOWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNO4/c1-16(2)17(3,4)23-18(22-16)14-9-7-10-15(19-14)21-12-13-8-5-6-11-20-13/h7,9-10,13H,5-6,8,11-12H2,1-4H3.
What are the key properties of 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 319.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172644114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).