2-oxoheptadecanoic acid

C17H32O3 — CID 5312901

IUPAC2-oxoheptadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20)
InChIKeyQPDMNFFZLIUVIV-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.12
Rot. Bonds15

About 2-oxoheptadecanoic acid

2-oxoheptadecanoic acid (PubChem CID 5312901) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-oxoheptadecanoic acid.

Molecular Properties

Compound Name2-oxoheptadecanoic acid
PubChem CID5312901
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2-oxoheptadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20)
InChIKeyQPDMNFFZLIUVIV-UHFFFAOYSA-N
XLogP5.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxotricosanoic acid
CID 5312932
alumane;2-oxononadecanoic acid
CID 174495213
chromium;2-oxooctanoic acid
CID 174981458
copper;2-oxohexanoic acid
CID 88811226
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
12,13-dioxodocosanoic acid
CID 139775715
2,4-dioxodecanoic acid
CID 21475711
icosane;oxalic acid
CID 175691290
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
bis(chromium(3+));hexakis(tetradecanoate)
CID 161038412
3,4-dioxononadecanoic acid
CID 155267286

Frequently Asked Questions

What is the IUPAC name of 2-oxoheptadecanoic acid?
The IUPAC name of 2-oxoheptadecanoic acid (CID 5312901) is 2-oxoheptadecanoic acid.
What is the SMILES notation for 2-oxoheptadecanoic acid?
The canonical SMILES for 2-oxoheptadecanoic acid is CCCCCCCCCCCCCCCC(=O)C(=O)O.
What is the InChIKey of 2-oxoheptadecanoic acid?
The InChIKey is QPDMNFFZLIUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20).
What are the key properties of 2-oxoheptadecanoic acid?
2-oxoheptadecanoic acid has a molecular weight of 284.44 g/mol, XLogP of 5.12, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoheptadecanoic acid is sourced from PubChem (CID 5312901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).