2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one

C17H25NO6 — CID 118948766

IUPAC2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one
SMILESO=c1cc(OCCOC2CCCCO2)[nH]c(C2(O)CCOCC2)c1
InChIInChI=1S/C17H25NO6/c19-13-11-14(17(20)4-7-21-8-5-17)18-15(12-13)22-9-10-24-16-3-1-2-6-23-16/h11-12,16,20H,1-10H2,(H,18,19)
InChIKeyBURTWNNHCQJTEU-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.29
Rot. Bonds6

About 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one

2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one (PubChem CID 118948766) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one
PubChem CID118948766
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one
SMILESO=c1cc(OCCOC2CCCCO2)[nH]c(C2(O)CCOCC2)c1
InChIInChI=1S/C17H25NO6/c19-13-11-14(17(20)4-7-21-8-5-17)18-15(12-13)22-9-10-24-16-3-1-2-6-23-16/h11-12,16,20H,1-10H2,(H,18,19)
InChIKeyBURTWNNHCQJTEU-UHFFFAOYSA-N
XLogP1.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol
CID 118948795
2-(2-phenoxyethoxy)oxane
CID 11736193
methyl 4-(ethylamino)-3-[2-(oxan-2-yloxy)ethoxy]benzoate
CID 126507881
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
CID 99799558
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
CID 121451856
4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one
CID 178051551
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine
CID 118948957
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one (CID 118948766) is 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one is O=c1cc(OCCOC2CCCCO2)[nH]c(C2(O)CCOCC2)c1.
What is the InChIKey of 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one?
The InChIKey is BURTWNNHCQJTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6/c19-13-11-14(17(20)4-7-21-8-5-17)18-15(12-13)22-9-10-24-16-3-1-2-6-23-16/h11-12,16,20H,1-10H2,(H,18,19).
What are the key properties of 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one?
2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one has a molecular weight of 339.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-1H-pyridin-4-one is sourced from PubChem (CID 118948766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).