1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one

C19H33NO2 — CID 57208717

IUPAC1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCCCCCCCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C19H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-20-18(21)15-16(2)17(3)19(20)22/h15,22H,4-14H2,1-3H3
InChIKeyOQKUDTHHJVEUOV-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.09
Rot. Bonds11

About 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one

1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 57208717) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID57208717
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCCCCCCCCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C19H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-20-18(21)15-16(2)17(3)19(20)22/h15,22H,4-14H2,1-3H3
InChIKeyOQKUDTHHJVEUOV-UHFFFAOYSA-N
XLogP5.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.09
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-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one (CID 57208717) is 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one is CCCCCCCCCCCCn1c(O)c(C)c(C)cc1=O.
What is the InChIKey of 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is OQKUDTHHJVEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-20-18(21)15-16(2)17(3)19(20)22/h15,22H,4-14H2,1-3H3.
What are the key properties of 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one?
1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 307.48 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 57208717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).