5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one

C16H27NO2 — CID 23338609

IUPAC5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCC(CC)Cn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C16H27NO2/c1-5-8-9-13(6-2)11-17-15(18)10-12(4)14(7-3)16(17)19/h10,13,19H,5-9,11H2,1-4H3
InChIKeyGTJXBPZIULQZFI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.64
Rot. Bonds7

About 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one

5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one (PubChem CID 23338609) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
PubChem CID23338609
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCC(CC)Cn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C16H27NO2/c1-5-8-9-13(6-2)11-17-15(18)10-12(4)14(7-3)16(17)19/h10,13,19H,5-9,11H2,1-4H3
InChIKeyGTJXBPZIULQZFI-UHFFFAOYSA-N
XLogP3.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one (CID 23338609) is 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one is CCCCC(CC)Cn1c(O)c(CC)c(C)cc1=O.
What is the InChIKey of 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is GTJXBPZIULQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-8-9-13(6-2)11-17-15(18)10-12(4)14(7-3)16(17)19/h10,13,19H,5-9,11H2,1-4H3.
What are the key properties of 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 23338609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).