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

C16H24BNO4 — CID 172644927

IUPAC3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccncc2OCC2CCCO2)OC1(C)C
InChIInChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-7-8-18-10-14(13)20-11-12-6-5-9-19-12/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyUCXKYVYWTCCWRA-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.94
Rot. Bonds4

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

3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172644927) has the molecular formula C16H24BNO4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172644927
Molecular FormulaC16H24BNO4
Molecular Weight305.18 g/mol
Exact Mass305.18
IUPAC Name3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccncc2OCC2CCCO2)OC1(C)C
InChIInChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-7-8-18-10-14(13)20-11-12-6-5-9-19-12/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyUCXKYVYWTCCWRA-UHFFFAOYSA-N
XLogP1.94
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
CID 162342133
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
methyl 3-[[(2R)-oxolan-2-yl]methoxy]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 172711436
2-(oxan-2-ylmethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644114
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 99906005
4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
CID 172671316
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396
N-[[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 113249457
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172644927) is 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccncc2OCC2CCCO2)OC1(C)C.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is UCXKYVYWTCCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-7-8-18-10-14(13)20-11-12-6-5-9-19-12/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 305.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172644927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).