1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one

C13H21NO2 — CID 106145926

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)CCO
InChIInChI=1S/C13H21NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3,4)5-6-15/h7-8,15H,5-6,9H2,1-4H3
InChIKeyYZOUZBNYSNUADC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one

1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one (PubChem CID 106145926) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one
PubChem CID106145926
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)CCO
InChIInChI=1S/C13H21NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3,4)5-6-15/h7-8,15H,5-6,9H2,1-4H3
InChIKeyYZOUZBNYSNUADC-UHFFFAOYSA-N
XLogP1.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
CID 106146133
1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
CID 79885402
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one
CID 114757395
4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 106146156
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
CID 67149618
1-(1,3-dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884865
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(5-hydroxypentyl)acetamide
CID 108795002
N-(4-hydroxy-2,2-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103772455
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108794989

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one (CID 106145926) is 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(C)(C)CCO.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one?
The InChIKey is YZOUZBNYSNUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-7-12(16)8-11(2)14(10)9-13(3,4)5-6-15/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one?
1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 106145926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).