2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid

C15H24O6 — CID 20575303

IUPAC2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
SMILESO=CCCC1C(OC2CCCCO2)CC(O)C1CC(=O)O
InChIInChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19)
InChIKeyJUVIQUJEYNPSHB-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.35
Rot. Bonds7

About 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid

2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid (PubChem CID 20575303) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
PubChem CID20575303
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
SMILESO=CCCC1C(OC2CCCCO2)CC(O)C1CC(=O)O
InChIInChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19)
InChIKeyJUVIQUJEYNPSHB-UHFFFAOYSA-N
XLogP1.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid (CID 20575303) is 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid is O=CCCC1C(OC2CCCCO2)CC(O)C1CC(=O)O.
What is the InChIKey of 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The InChIKey is JUVIQUJEYNPSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19).
What are the key properties of 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid has a molecular weight of 300.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid is sourced from PubChem (CID 20575303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).