[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate

C21H31NO4Si — CID 602722

IUPAC[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate
SMILESCC(C)C(C)(C)[Si](C)(C)OCC1NC(=O)C=CC1OC(=O)c1ccccc1
InChIInChI=1S/C21H31NO4Si/c1-15(2)21(3,4)27(5,6)25-14-17-18(12-13-19(23)22-17)26-20(24)16-10-8-7-9-11-16/h7-13,15,17-18H,14H2,1-6H3,(H,22,23)
InChIKeyIQRXRQQNBXLUBH-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.92
Rot. Bonds7

About [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate

[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate (PubChem CID 602722) has the molecular formula C21H31NO4Si and a molecular weight of 389.57 g/mol. Its IUPAC name is [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate.

Molecular Properties

Compound Name[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate
PubChem CID602722
Molecular FormulaC21H31NO4Si
Molecular Weight389.57 g/mol
Exact Mass389.20
IUPAC Name[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate
SMILESCC(C)C(C)(C)[Si](C)(C)OCC1NC(=O)C=CC1OC(=O)c1ccccc1
InChIInChI=1S/C21H31NO4Si/c1-15(2)21(3,4)27(5,6)25-14-17-18(12-13-19(23)22-17)26-20(24)16-10-8-7-9-11-16/h7-13,15,17-18H,14H2,1-6H3,(H,22,23)
InChIKeyIQRXRQQNBXLUBH-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
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 [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate?
The IUPAC name of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate (CID 602722) is [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate.
What is the SMILES notation for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate?
The canonical SMILES for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate is CC(C)C(C)(C)[Si](C)(C)OCC1NC(=O)C=CC1OC(=O)c1ccccc1.
What is the InChIKey of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate?
The InChIKey is IQRXRQQNBXLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4Si/c1-15(2)21(3,4)27(5,6)25-14-17-18(12-13-19(23)22-17)26-20(24)16-10-8-7-9-11-16/h7-13,15,17-18H,14H2,1-6H3,(H,22,23).
What are the key properties of [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate?
[2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate has a molecular weight of 389.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydro-1H-pyridin-3-yl] benzoate is sourced from PubChem (CID 602722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).