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

C18H31NO2 — CID 20541686

IUPAC5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCc1c(C)cc(=O)n(CC(CC)CCCC)c1O
InChIInChI=1S/C18H31NO2/c1-5-8-10-15(7-3)13-19-17(20)12-14(4)16(18(19)21)11-9-6-2/h12,15,21H,5-11,13H2,1-4H3
InChIKeyCYHXGGKZUHPIMW-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.42
Rot. Bonds9

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

5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one (PubChem CID 20541686) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
PubChem CID20541686
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCc1c(C)cc(=O)n(CC(CC)CCCC)c1O
InChIInChI=1S/C18H31NO2/c1-5-8-10-15(7-3)13-19-17(20)12-14(4)16(18(19)21)11-9-6-2/h12,15,21H,5-11,13H2,1-4H3
InChIKeyCYHXGGKZUHPIMW-UHFFFAOYSA-N
XLogP4.42
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one (CID 20541686) is 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one is CCCCc1c(C)cc(=O)n(CC(CC)CCCC)c1O.
What is the InChIKey of 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is CYHXGGKZUHPIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-8-10-15(7-3)13-19-17(20)12-14(4)16(18(19)21)11-9-6-2/h12,15,21H,5-11,13H2,1-4H3.
What are the key properties of 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one?
5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 293.45 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(2-ethylhexyl)-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 20541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).