2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one

C18H31NO2 — CID 66562300

IUPAC2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one
SMILESCCCCCCCCCCc1c(C)c(=O)c(C)c(C)n1O
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-10-11-12-13-17-15(3)18(20)14(2)16(4)19(17)21/h21H,5-13H2,1-4H3
InChIKeyCSHZTDUVQKLSJG-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.69
Rot. Bonds9

About 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one

2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one (PubChem CID 66562300) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one.

Molecular Properties

Compound Name2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one
PubChem CID66562300
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one
SMILESCCCCCCCCCCc1c(C)c(=O)c(C)c(C)n1O
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-10-11-12-13-17-15(3)18(20)14(2)16(4)19(17)21/h21H,5-13H2,1-4H3
InChIKeyCSHZTDUVQKLSJG-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one?
The IUPAC name of 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one (CID 66562300) is 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one.
What is the SMILES notation for 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one?
The canonical SMILES for 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one is CCCCCCCCCCc1c(C)c(=O)c(C)c(C)n1O.
What is the InChIKey of 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one?
The InChIKey is CSHZTDUVQKLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-7-8-9-10-11-12-13-17-15(3)18(20)14(2)16(4)19(17)21/h21H,5-13H2,1-4H3.
What are the key properties of 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one?
2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one has a molecular weight of 293.45 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-hydroxy-3,5,6-trimethylpyridin-4-one is sourced from PubChem (CID 66562300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).