6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid

C14H18O3 — CID 123993743

IUPAC6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid
SMILESC=C(C)C1C=CC(=O)C1CC=CCCC(=O)O
InChIInChI=1S/C14H18O3/c1-10(2)11-8-9-13(15)12(11)6-4-3-5-7-14(16)17/h3-4,8-9,11-12H,1,5-7H2,2H3,(H,16,17)
InChIKeyUBOSSACDPKFDRP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.74
Rot. Bonds6

About 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid

6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid (PubChem CID 123993743) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid.

Molecular Properties

Compound Name6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid
PubChem CID123993743
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid
SMILESC=C(C)C1C=CC(=O)C1CC=CCCC(=O)O
InChIInChI=1S/C14H18O3/c1-10(2)11-8-9-13(15)12(11)6-4-3-5-7-14(16)17/h3-4,8-9,11-12H,1,5-7H2,2H3,(H,16,17)
InChIKeyUBOSSACDPKFDRP-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid?
The IUPAC name of 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid (CID 123993743) is 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid.
What is the SMILES notation for 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid?
The canonical SMILES for 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid is C=C(C)C1C=CC(=O)C1CC=CCCC(=O)O.
What is the InChIKey of 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid?
The InChIKey is UBOSSACDPKFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)11-8-9-13(15)12(11)6-4-3-5-7-14(16)17/h3-4,8-9,11-12H,1,5-7H2,2H3,(H,16,17).
What are the key properties of 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid?
6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-5-prop-1-en-2-ylcyclopent-3-en-1-yl)hex-4-enoic acid is sourced from PubChem (CID 123993743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).