9-oxoundecanoic acid

C11H20O3 — CID 5282986

IUPAC9-oxoundecanoic acid
SMILESCCC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyKUPZGNQJONLIRP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.78
Rot. Bonds9

About 9-oxoundecanoic acid

9-oxoundecanoic acid (PubChem CID 5282986) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-oxoundecanoic acid.

Molecular Properties

Compound Name9-oxoundecanoic acid
PubChem CID5282986
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name9-oxoundecanoic acid
SMILESCCC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyKUPZGNQJONLIRP-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;undecane-3,9-dione
CID 158816586
7-oxopentadecanoic acid
CID 14454467
22-hydroxytricos-22-en-3-one
CID 170097377
1-hydroxydodecane-2,10-dione
CID 158814981
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 9-oxoundecanoic acid?
The IUPAC name of 9-oxoundecanoic acid (CID 5282986) is 9-oxoundecanoic acid.
What is the SMILES notation for 9-oxoundecanoic acid?
The canonical SMILES for 9-oxoundecanoic acid is CCC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 9-oxoundecanoic acid?
The InChIKey is KUPZGNQJONLIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 9-oxoundecanoic acid?
9-oxoundecanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxoundecanoic acid is sourced from PubChem (CID 5282986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).