[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid

C15H28BNO3Si — CID 171555424

IUPAC[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid
SMILESCc1cc(CC(C)O[Si](C)(C)C(C)(C)C)ncc1B(O)O
InChIInChI=1S/C15H28BNO3Si/c1-11-8-13(17-10-14(11)16(18)19)9-12(2)20-21(6,7)15(3,4)5/h8,10,12,18-19H,9H2,1-7H3
InChIKeyUWBJHSFOENJWAP-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.02
Rot. Bonds5

About [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid

[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid (PubChem CID 171555424) has the molecular formula C15H28BNO3Si and a molecular weight of 309.29 g/mol. Its IUPAC name is [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid
PubChem CID171555424
Molecular FormulaC15H28BNO3Si
Molecular Weight309.29 g/mol
Exact Mass309.19
IUPAC Name[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid
SMILESCc1cc(CC(C)O[Si](C)(C)C(C)(C)C)ncc1B(O)O
InChIInChI=1S/C15H28BNO3Si/c1-11-8-13(17-10-14(11)16(18)19)9-12(2)20-21(6,7)15(3,4)5/h8,10,12,18-19H,9H2,1-7H3
InChIKeyUWBJHSFOENJWAP-UHFFFAOYSA-N
XLogP2.02
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid?
The IUPAC name of [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid (CID 171555424) is [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid?
The canonical SMILES for [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid is Cc1cc(CC(C)O[Si](C)(C)C(C)(C)C)ncc1B(O)O.
What is the InChIKey of [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid?
The InChIKey is UWBJHSFOENJWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BNO3Si/c1-11-8-13(17-10-14(11)16(18)19)9-12(2)20-21(6,7)15(3,4)5/h8,10,12,18-19H,9H2,1-7H3.
What are the key properties of [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid?
[6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid has a molecular weight of 309.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methyl-3-pyridinyl]boronic acid is sourced from PubChem (CID 171555424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).