1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one

C20H35NO2 — CID 57170518

IUPAC1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCCCCCCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C20H35NO2/c1-4-6-7-8-9-10-11-12-13-14-15-21-19(22)16-17(3)18(5-2)20(21)23/h16,23H,4-15H2,1-3H3
InChIKeyVBUUCGPIAAHBBH-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.35
Rot. Bonds12

About 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one

1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one (PubChem CID 57170518) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
PubChem CID57170518
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCCCCCCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C20H35NO2/c1-4-6-7-8-9-10-11-12-13-14-15-21-19(22)16-17(3)18(5-2)20(21)23/h16,23H,4-15H2,1-3H3
InChIKeyVBUUCGPIAAHBBH-UHFFFAOYSA-N
XLogP5.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one (CID 57170518) is 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one is CCCCCCCCCCCCn1c(O)c(CC)c(C)cc1=O.
What is the InChIKey of 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is VBUUCGPIAAHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-4-6-7-8-9-10-11-12-13-14-15-21-19(22)16-17(3)18(5-2)20(21)23/h16,23H,4-15H2,1-3H3.
What are the key properties of 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 321.51 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 57170518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).