5-decoxy-5-oxopentanoic acid

C15H28O4 — CID 53431398

IUPAC5-decoxy-5-oxopentanoic acid
SMILESCCCCCCCCCCOC(=O)CCCC(=O)O
InChIInChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-9-13-19-15(18)12-10-11-14(16)17/h2-13H2,1H3,(H,16,17)
InChIKeyLKSWDKHFKYWPAU-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.93
Rot. Bonds13

About 5-decoxy-5-oxopentanoic acid

5-decoxy-5-oxopentanoic acid (PubChem CID 53431398) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-decoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-decoxy-5-oxopentanoic acid
PubChem CID53431398
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name5-decoxy-5-oxopentanoic acid
SMILESCCCCCCCCCCOC(=O)CCCC(=O)O
InChIInChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-9-13-19-15(18)12-10-11-14(16)17/h2-13H2,1H3,(H,16,17)
InChIKeyLKSWDKHFKYWPAU-UHFFFAOYSA-N
XLogP3.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

17-tetradecanoyloxyheptadecanoic acid
CID 170564356
12-hexadecoxy-12-oxododecanoic acid
CID 174602143
6-octadecanoyloxyhexyl octadecanoate;pentacontanedioic acid
CID 175973785
9-dodecanoyloxynonanoic acid
CID 57012340
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
14-decoxy-14-oxotetradecanoic acid
CID 87963491

Frequently Asked Questions

What is the IUPAC name of 5-decoxy-5-oxopentanoic acid?
The IUPAC name of 5-decoxy-5-oxopentanoic acid (CID 53431398) is 5-decoxy-5-oxopentanoic acid.
What is the SMILES notation for 5-decoxy-5-oxopentanoic acid?
The canonical SMILES for 5-decoxy-5-oxopentanoic acid is CCCCCCCCCCOC(=O)CCCC(=O)O.
What is the InChIKey of 5-decoxy-5-oxopentanoic acid?
The InChIKey is LKSWDKHFKYWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-2-3-4-5-6-7-8-9-13-19-15(18)12-10-11-14(16)17/h2-13H2,1H3,(H,16,17).
What are the key properties of 5-decoxy-5-oxopentanoic acid?
5-decoxy-5-oxopentanoic acid has a molecular weight of 272.38 g/mol, XLogP of 3.93, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-5-oxopentanoic acid is sourced from PubChem (CID 53431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).