2-cyclopentyltridecanoic acid

C18H34O2 — CID 22665117

IUPAC2-cyclopentyltridecanoic acid
SMILESCCCCCCCCCCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-15-17(18(19)20)16-13-11-12-14-16/h16-17H,2-15H2,1H3,(H,19,20)
InChIKeyCUSUHQDXXFSOQD-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.80
Rot. Bonds12

About 2-cyclopentyltridecanoic acid

2-cyclopentyltridecanoic acid (PubChem CID 22665117) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclopentyltridecanoic acid.

Molecular Properties

Compound Name2-cyclopentyltridecanoic acid
PubChem CID22665117
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-cyclopentyltridecanoic acid
SMILESCCCCCCCCCCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-15-17(18(19)20)16-13-11-12-14-16/h16-17H,2-15H2,1H3,(H,19,20)
InChIKeyCUSUHQDXXFSOQD-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(1-methylpiperidin-4-yl)hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyltridecanoic acid?
The IUPAC name of 2-cyclopentyltridecanoic acid (CID 22665117) is 2-cyclopentyltridecanoic acid.
What is the SMILES notation for 2-cyclopentyltridecanoic acid?
The canonical SMILES for 2-cyclopentyltridecanoic acid is CCCCCCCCCCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyltridecanoic acid?
The InChIKey is CUSUHQDXXFSOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-15-17(18(19)20)16-13-11-12-14-16/h16-17H,2-15H2,1H3,(H,19,20).
What are the key properties of 2-cyclopentyltridecanoic acid?
2-cyclopentyltridecanoic acid has a molecular weight of 282.47 g/mol, XLogP of 5.80, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyltridecanoic acid is sourced from PubChem (CID 22665117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).