8-(2,4-dioxopyrimidin-1-yl)octyl propanoate

C15H24N2O4 — CID 169034530

IUPAC8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
SMILESCCC(=O)OCCCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O4/c1-2-14(19)21-12-8-6-4-3-5-7-10-17-11-9-13(18)16-15(17)20/h9,11H,2-8,10,12H2,1H3,(H,16,18,20)
InChIKeyRYEGMUVFLOWARP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.83
Rot. Bonds10

About 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate

8-(2,4-dioxopyrimidin-1-yl)octyl propanoate (PubChem CID 169034530) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate.

Molecular Properties

Compound Name8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
PubChem CID169034530
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
SMILESCCC(=O)OCCCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O4/c1-2-14(19)21-12-8-6-4-3-5-7-10-17-11-9-13(18)16-15(17)20/h9,11H,2-8,10,12H2,1H3,(H,16,18,20)
InChIKeyRYEGMUVFLOWARP-UHFFFAOYSA-N
XLogP1.83
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-(4-oxo-2-sulfanylidenepyrimidin-1-yl)undecyl propanoate
CID 169034317
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 170124459
1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
CID 71722725
8-[3-(2,4-dioxopyrimidin-1-yl)propyl-(8-octoxy-8-oxooctyl)amino]octanoic acid
CID 174320844
6-(2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethylcyclopentane-1-carboxylate
CID 166946687
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
CID 169034393
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
5-(2,4-dioxopyrimidin-1-yl)pentyl-[5-(2,4-dioxopyrimidin-1-yl)pentyl-hydroxyphosphoryl]oxyphosphinic acid
CID 91326769
1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione
CID 11655779

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate?
The IUPAC name of 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate (CID 169034530) is 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate.
What is the SMILES notation for 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate?
The canonical SMILES for 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate is CCC(=O)OCCCCCCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate?
The InChIKey is RYEGMUVFLOWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-14(19)21-12-8-6-4-3-5-7-10-17-11-9-13(18)16-15(17)20/h9,11H,2-8,10,12H2,1H3,(H,16,18,20).
What are the key properties of 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate?
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate has a molecular weight of 296.37 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dioxopyrimidin-1-yl)octyl propanoate is sourced from PubChem (CID 169034530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).