1-(5-octoxy-2-pyridinyl)propan-1-one

C16H25NO2 — CID 112583834

IUPAC1-(5-octoxy-2-pyridinyl)propan-1-one
SMILESCCCCCCCCOc1ccc(C(=O)CC)nc1
InChIInChI=1S/C16H25NO2/c1-3-5-6-7-8-9-12-19-14-10-11-15(17-13-14)16(18)4-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUUNMVNYHNPIIJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.41
Rot. Bonds10

About 1-(5-octoxy-2-pyridinyl)propan-1-one

1-(5-octoxy-2-pyridinyl)propan-1-one (PubChem CID 112583834) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-octoxy-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-octoxy-2-pyridinyl)propan-1-one
PubChem CID112583834
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-octoxy-2-pyridinyl)propan-1-one
SMILESCCCCCCCCOc1ccc(C(=O)CC)nc1
InChIInChI=1S/C16H25NO2/c1-3-5-6-7-8-9-12-19-14-10-11-15(17-13-14)16(18)4-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUUNMVNYHNPIIJX-UHFFFAOYSA-N
XLogP4.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3-methylbut-3-enoxy)-2-pyridinyl]propan-1-one
CID 114470248
5-octoxypyridin-2-amine
CID 43126983
2-fluoro-5-hexoxypyridine
CID 115371648
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
(3-chloro-4-cyanophenyl) 5-nonoxypyridine-2-carboxylate
CID 54476833

Frequently Asked Questions

What is the IUPAC name of 1-(5-octoxy-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-octoxy-2-pyridinyl)propan-1-one (CID 112583834) is 1-(5-octoxy-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-octoxy-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-octoxy-2-pyridinyl)propan-1-one is CCCCCCCCOc1ccc(C(=O)CC)nc1.
What is the InChIKey of 1-(5-octoxy-2-pyridinyl)propan-1-one?
The InChIKey is UUNMVNYHNPIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-6-7-8-9-12-19-14-10-11-15(17-13-14)16(18)4-2/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 1-(5-octoxy-2-pyridinyl)propan-1-one?
1-(5-octoxy-2-pyridinyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octoxy-2-pyridinyl)propan-1-one is sourced from PubChem (CID 112583834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).