11-(5-oxocyclopenten-1-yl)undecanoic acid

C16H26O3 — CID 3040251

IUPAC11-(5-oxocyclopenten-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCC1=CCCC1=O
InChIInChI=1S/C16H26O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h11H,1-10,12-13H2,(H,18,19)
InChIKeyUICMEIADIIPNHJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.26
Rot. Bonds11

About 11-(5-oxocyclopenten-1-yl)undecanoic acid

11-(5-oxocyclopenten-1-yl)undecanoic acid (PubChem CID 3040251) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11-(5-oxocyclopenten-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(5-oxocyclopenten-1-yl)undecanoic acid
PubChem CID3040251
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name11-(5-oxocyclopenten-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCC1=CCCC1=O
InChIInChI=1S/C16H26O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h11H,1-10,12-13H2,(H,18,19)
InChIKeyUICMEIADIIPNHJ-UHFFFAOYSA-N
XLogP4.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of 11-(5-oxocyclopenten-1-yl)undecanoic acid?
The IUPAC name of 11-(5-oxocyclopenten-1-yl)undecanoic acid (CID 3040251) is 11-(5-oxocyclopenten-1-yl)undecanoic acid.
What is the SMILES notation for 11-(5-oxocyclopenten-1-yl)undecanoic acid?
The canonical SMILES for 11-(5-oxocyclopenten-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCC1=CCCC1=O.
What is the InChIKey of 11-(5-oxocyclopenten-1-yl)undecanoic acid?
The InChIKey is UICMEIADIIPNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h11H,1-10,12-13H2,(H,18,19).
What are the key properties of 11-(5-oxocyclopenten-1-yl)undecanoic acid?
11-(5-oxocyclopenten-1-yl)undecanoic acid has a molecular weight of 266.38 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-oxocyclopenten-1-yl)undecanoic acid is sourced from PubChem (CID 3040251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).