1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one

C14H23NO2 — CID 106146133

IUPAC1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)CCCO
InChIInChI=1S/C14H23NO2/c1-11-8-13(17)9-12(2)15(11)10-14(3,4)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyIJOZZQNSTOBMCV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one

1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one (PubChem CID 106146133) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
PubChem CID106146133
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(C)CCCO
InChIInChI=1S/C14H23NO2/c1-11-8-13(17)9-12(2)15(11)10-14(3,4)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyIJOZZQNSTOBMCV-UHFFFAOYSA-N
XLogP2.26
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one (CID 106146133) is 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(C)(C)CCCO.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one?
The InChIKey is IJOZZQNSTOBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-8-13(17)9-12(2)15(11)10-14(3,4)6-5-7-16/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one?
1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one has a molecular weight of 237.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 106146133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).