11-(cyclopenten-1-yl)-11-oxoundecanoic acid

C16H26O3 — CID 46214743

IUPAC11-(cyclopenten-1-yl)-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)C1=CCCC1
InChIInChI=1S/C16H26O3/c17-15(14-10-8-9-11-14)12-6-4-2-1-3-5-7-13-16(18)19/h10H,1-9,11-13H2,(H,18,19)
InChIKeyBTRMYWIRJSMBSF-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.26
Rot. Bonds11

About 11-(cyclopenten-1-yl)-11-oxoundecanoic acid

11-(cyclopenten-1-yl)-11-oxoundecanoic acid (PubChem CID 46214743) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11-(cyclopenten-1-yl)-11-oxoundecanoic acid.

Molecular Properties

Compound Name11-(cyclopenten-1-yl)-11-oxoundecanoic acid
PubChem CID46214743
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name11-(cyclopenten-1-yl)-11-oxoundecanoic acid
SMILESO=C(O)CCCCCCCCCC(=O)C1=CCCC1
InChIInChI=1S/C16H26O3/c17-15(14-10-8-9-11-14)12-6-4-2-1-3-5-7-13-16(18)19/h10H,1-9,11-13H2,(H,18,19)
InChIKeyBTRMYWIRJSMBSF-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-(cyclopenten-1-yl)-11-oxoundecanoic acid?
The IUPAC name of 11-(cyclopenten-1-yl)-11-oxoundecanoic acid (CID 46214743) is 11-(cyclopenten-1-yl)-11-oxoundecanoic acid.
What is the SMILES notation for 11-(cyclopenten-1-yl)-11-oxoundecanoic acid?
The canonical SMILES for 11-(cyclopenten-1-yl)-11-oxoundecanoic acid is O=C(O)CCCCCCCCCC(=O)C1=CCCC1.
What is the InChIKey of 11-(cyclopenten-1-yl)-11-oxoundecanoic acid?
The InChIKey is BTRMYWIRJSMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15(14-10-8-9-11-14)12-6-4-2-1-3-5-7-13-16(18)19/h10H,1-9,11-13H2,(H,18,19).
What are the key properties of 11-(cyclopenten-1-yl)-11-oxoundecanoic acid?
11-(cyclopenten-1-yl)-11-oxoundecanoic 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-(cyclopenten-1-yl)-11-oxoundecanoic acid is sourced from PubChem (CID 46214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).