6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid

C16H26O3 — CID 54432406

IUPAC6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid
SMILESCCC=CCC1C(=O)CCC1CCCCCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)
InChIKeyWIJWBOWLVOOYFR-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.97
Rot. Bonds9

About 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid

6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid (PubChem CID 54432406) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid.

Molecular Properties

Compound Name6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid
PubChem CID54432406
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid
SMILESCCC=CCC1C(=O)CCC1CCCCCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)
InChIKeyWIJWBOWLVOOYFR-UHFFFAOYSA-N
XLogP3.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid?
The IUPAC name of 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid (CID 54432406) is 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid.
What is the SMILES notation for 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid?
The canonical SMILES for 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid is CCC=CCC1C(=O)CCC1CCCCCC(=O)O.
What is the InChIKey of 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid?
The InChIKey is WIJWBOWLVOOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19).
What are the key properties of 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid?
6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxo-2-pent-2-enylcyclopentyl)hexanoic acid is sourced from PubChem (CID 54432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).