14-(3-oxocyclopenten-1-yl)tetradecanoic acid

C19H32O3 — CID 171119992

IUPAC14-(3-oxocyclopenten-1-yl)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC1=CC(=O)CC1
InChIInChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22)
InChIKeyZHUVNXQAENOFTH-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.43
Rot. Bonds14

About 14-(3-oxocyclopenten-1-yl)tetradecanoic acid

14-(3-oxocyclopenten-1-yl)tetradecanoic acid (PubChem CID 171119992) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 14-(3-oxocyclopenten-1-yl)tetradecanoic acid.

Molecular Properties

Compound Name14-(3-oxocyclopenten-1-yl)tetradecanoic acid
PubChem CID171119992
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name14-(3-oxocyclopenten-1-yl)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC1=CC(=O)CC1
InChIInChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22)
InChIKeyZHUVNXQAENOFTH-UHFFFAOYSA-N
XLogP5.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.43
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 14-(3-oxocyclopenten-1-yl)tetradecanoic acid?
The IUPAC name of 14-(3-oxocyclopenten-1-yl)tetradecanoic acid (CID 171119992) is 14-(3-oxocyclopenten-1-yl)tetradecanoic acid.
What is the SMILES notation for 14-(3-oxocyclopenten-1-yl)tetradecanoic acid?
The canonical SMILES for 14-(3-oxocyclopenten-1-yl)tetradecanoic acid is O=C(O)CCCCCCCCCCCCCC1=CC(=O)CC1.
What is the InChIKey of 14-(3-oxocyclopenten-1-yl)tetradecanoic acid?
The InChIKey is ZHUVNXQAENOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22).
What are the key properties of 14-(3-oxocyclopenten-1-yl)tetradecanoic acid?
14-(3-oxocyclopenten-1-yl)tetradecanoic acid has a molecular weight of 308.46 g/mol, XLogP of 5.43, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-oxocyclopenten-1-yl)tetradecanoic acid is sourced from PubChem (CID 171119992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).