7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid

C14H22O5 — CID 23329941

IUPAC7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CC(OCCO)CC1=O
InChIInChI=1S/C14H22O5/c15-7-8-19-12-9-11(13(16)10-12)5-3-1-2-4-6-14(17)18/h9,12,15H,1-8,10H2,(H,17,18)
InChIKeyLTOUDZXKTYVOAF-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.69
Rot. Bonds10

About 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid

7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid (PubChem CID 23329941) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
PubChem CID23329941
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CC(OCCO)CC1=O
InChIInChI=1S/C14H22O5/c15-7-8-19-12-9-11(13(16)10-12)5-3-1-2-4-6-14(17)18/h9,12,15H,1-8,10H2,(H,17,18)
InChIKeyLTOUDZXKTYVOAF-UHFFFAOYSA-N
XLogP1.69
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The IUPAC name of 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid (CID 23329941) is 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid is O=C(O)CCCCCCC1=CC(OCCO)CC1=O.
What is the InChIKey of 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The InChIKey is LTOUDZXKTYVOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c15-7-8-19-12-9-11(13(16)10-12)5-3-1-2-4-6-14(17)18/h9,12,15H,1-8,10H2,(H,17,18).
What are the key properties of 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid has a molecular weight of 270.32 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 23329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).