1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C19H34BNO4Si — CID 170985682

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2)OC1(C)C
InChIInChI=1S/C19H34BNO4Si/c1-17(2,3)26(8,9)23-13-12-21-14-15(10-11-16(21)22)20-24-18(4,5)19(6,7)25-20/h10-11,14H,12-13H2,1-9H3
InChIKeyQSNUSKWNHLPVGH-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.17
Rot. Bonds5

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 170985682) has the molecular formula C19H34BNO4Si and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID170985682
Molecular FormulaC19H34BNO4Si
Molecular Weight379.38 g/mol
Exact Mass379.24
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2)OC1(C)C
InChIInChI=1S/C19H34BNO4Si/c1-17(2,3)26(8,9)23-13-12-21-14-15(10-11-16(21)22)20-24-18(4,5)19(6,7)25-20/h10-11,14H,12-13H2,1-9H3
InChIKeyQSNUSKWNHLPVGH-UHFFFAOYSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.17
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

1-(2-Methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 66706462
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1-(triisopropylsilyloxy) propan-2-yl)pyridin-2(1H)-one
CID 58070492
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 141645736

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 170985682) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC1(C)OB(c2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2)OC1(C)C.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is QSNUSKWNHLPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34BNO4Si/c1-17(2,3)26(8,9)23-13-12-21-14-15(10-11-16(21)22)20-24-18(4,5)19(6,7)25-20/h10-11,14H,12-13H2,1-9H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 379.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 170985682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).