11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid

C15H24O5 — CID 19991612

IUPAC11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCC1=CC(=O)OC1O
InChIInChI=1S/C15H24O5/c16-13(17)10-8-6-4-2-1-3-5-7-9-12-11-14(18)20-15(12)19/h11,15,19H,1-10H2,(H,16,17)
InChIKeyJPIKKDHJBXQBSV-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.77
Rot. Bonds11

About 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid

11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid (PubChem CID 19991612) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid.

Molecular Properties

Compound Name11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid
PubChem CID19991612
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCC1=CC(=O)OC1O
InChIInChI=1S/C15H24O5/c16-13(17)10-8-6-4-2-1-3-5-7-9-12-11-14(18)20-15(12)19/h11,15,19H,1-10H2,(H,16,17)
InChIKeyJPIKKDHJBXQBSV-UHFFFAOYSA-N
XLogP2.77
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.77
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 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid?
The IUPAC name of 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid (CID 19991612) is 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid.
What is the SMILES notation for 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid?
The canonical SMILES for 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid is O=C(O)CCCCCCCCCCC1=CC(=O)OC1O.
What is the InChIKey of 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid?
The InChIKey is JPIKKDHJBXQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c16-13(17)10-8-6-4-2-1-3-5-7-9-12-11-14(18)20-15(12)19/h11,15,19H,1-10H2,(H,16,17).
What are the key properties of 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid?
11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxy-5-oxo-2H-furan-3-yl)undecanoic acid is sourced from PubChem (CID 19991612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).