5-(6-oxopyran-2-yl)pentanoic acid

C10H12O4 — CID 15789296

IUPAC5-(6-oxopyran-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc(=O)o1
InChIInChI=1S/C10H12O4/c11-9(12)6-2-1-4-8-5-3-7-10(13)14-8/h3,5,7H,1-2,4,6H2,(H,11,12)
InChIKeyVKISOVDSKHKFQB-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.44
Rot. Bonds5

About 5-(6-oxopyran-2-yl)pentanoic acid

5-(6-oxopyran-2-yl)pentanoic acid (PubChem CID 15789296) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(6-oxopyran-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6-oxopyran-2-yl)pentanoic acid
PubChem CID15789296
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(6-oxopyran-2-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc(=O)o1
InChIInChI=1S/C10H12O4/c11-9(12)6-2-1-4-8-5-3-7-10(13)14-8/h3,5,7H,1-2,4,6H2,(H,11,12)
InChIKeyVKISOVDSKHKFQB-UHFFFAOYSA-N
XLogP1.44
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(6-oxopyran-2-yl)pentanoic acid?
The IUPAC name of 5-(6-oxopyran-2-yl)pentanoic acid (CID 15789296) is 5-(6-oxopyran-2-yl)pentanoic acid.
What is the SMILES notation for 5-(6-oxopyran-2-yl)pentanoic acid?
The canonical SMILES for 5-(6-oxopyran-2-yl)pentanoic acid is O=C(O)CCCCc1cccc(=O)o1.
What is the InChIKey of 5-(6-oxopyran-2-yl)pentanoic acid?
The InChIKey is VKISOVDSKHKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-9(12)6-2-1-4-8-5-3-7-10(13)14-8/h3,5,7H,1-2,4,6H2,(H,11,12).
What are the key properties of 5-(6-oxopyran-2-yl)pentanoic acid?
5-(6-oxopyran-2-yl)pentanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxopyran-2-yl)pentanoic acid is sourced from PubChem (CID 15789296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).