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

C17H26O5 — CID 13216831

IUPAC7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CC(OC2CCCCO2)CC1=O
InChIInChI=1S/C17H26O5/c18-15-12-14(22-17-9-5-6-10-21-17)11-13(15)7-3-1-2-4-8-16(19)20/h11,14,17H,1-10,12H2,(H,19,20)
InChIKeyRJRRYIDXZPIOPC-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.22
Rot. Bonds9

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

7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid (PubChem CID 13216831) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid
PubChem CID13216831
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CC(OC2CCCCO2)CC1=O
InChIInChI=1S/C17H26O5/c18-15-12-14(22-17-9-5-6-10-21-17)11-13(15)7-3-1-2-4-8-16(19)20/h11,14,17H,1-10,12H2,(H,19,20)
InChIKeyRJRRYIDXZPIOPC-UHFFFAOYSA-N
XLogP3.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
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-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The IUPAC name of 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid (CID 13216831) is 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid is O=C(O)CCCCCCC1=CC(OC2CCCCO2)CC1=O.
What is the InChIKey of 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The InChIKey is RJRRYIDXZPIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c18-15-12-14(22-17-9-5-6-10-21-17)11-13(15)7-3-1-2-4-8-16(19)20/h11,14,17H,1-10,12H2,(H,19,20).
What are the key properties of 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid?
7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid has a molecular weight of 310.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 13216831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).