5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one

C20H25NO5Si — CID 123381214

IUPAC5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one
SMILESCCC#CCOc1ccc([Si](O)(O)CC)cc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C20H25NO5Si/c1-5-7-8-11-26-18-10-9-16(27(23,24)6-2)13-17(18)15-12-19(25-4)20(22)21(3)14-15/h9-10,12-14,23-24H,5-6,11H2,1-4H3
InChIKeyDAFHACGEIUIASZ-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.51
Rot. Bonds6

About 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one

5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one (PubChem CID 123381214) has the molecular formula C20H25NO5Si and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one
PubChem CID123381214
Molecular FormulaC20H25NO5Si
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one
SMILESCCC#CCOc1ccc([Si](O)(O)CC)cc1-c1cc(OC)c(=O)n(C)c1
InChIInChI=1S/C20H25NO5Si/c1-5-7-8-11-26-18-10-9-16(27(23,24)6-2)13-17(18)15-12-19(25-4)20(22)21(3)14-15/h9-10,12-14,23-24H,5-6,11H2,1-4H3
InChIKeyDAFHACGEIUIASZ-UHFFFAOYSA-N
XLogP1.51
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one (CID 123381214) is 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one is CCC#CCOc1ccc([Si](O)(O)CC)cc1-c1cc(OC)c(=O)n(C)c1.
What is the InChIKey of 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one?
The InChIKey is DAFHACGEIUIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5Si/c1-5-7-8-11-26-18-10-9-16(27(23,24)6-2)13-17(18)15-12-19(25-4)20(22)21(3)14-15/h9-10,12-14,23-24H,5-6,11H2,1-4H3.
What are the key properties of 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one?
5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one has a molecular weight of 387.51 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 123381214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).