5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one

C17H27NO3 — CID 90426880

IUPAC5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCCCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C17H27NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,13,15,20H,3-7,10,12H2,1-2H3,(H,18,19)
InChIKeyZEWDSAHEHSPAMJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.11
Rot. Bonds6

About 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one

5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (PubChem CID 90426880) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
PubChem CID90426880
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCCCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C17H27NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,13,15,20H,3-7,10,12H2,1-2H3,(H,18,19)
InChIKeyZEWDSAHEHSPAMJ-UHFFFAOYSA-N
XLogP3.11
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (CID 90426880) is 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is CCCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The InChIKey is ZEWDSAHEHSPAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,13,15,20H,3-7,10,12H2,1-2H3,(H,18,19).
What are the key properties of 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one has a molecular weight of 293.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 90426880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).