6-(5-hydroxypentyl)pyran-2-one

C10H14O3 — CID 15789297

IUPAC6-(5-hydroxypentyl)pyran-2-one
SMILESO=c1cccc(CCCCCO)o1
InChIInChI=1S/C10H14O3/c11-8-3-1-2-5-9-6-4-7-10(12)13-9/h4,6-7,11H,1-3,5,8H2
InChIKeyMIGMOZQMTSKLRV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.34
Rot. Bonds5

About 6-(5-hydroxypentyl)pyran-2-one

6-(5-hydroxypentyl)pyran-2-one (PubChem CID 15789297) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-(5-hydroxypentyl)pyran-2-one.

Molecular Properties

Compound Name6-(5-hydroxypentyl)pyran-2-one
PubChem CID15789297
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-(5-hydroxypentyl)pyran-2-one
SMILESO=c1cccc(CCCCCO)o1
InChIInChI=1S/C10H14O3/c11-8-3-1-2-5-9-6-4-7-10(12)13-9/h4,6-7,11H,1-3,5,8H2
InChIKeyMIGMOZQMTSKLRV-UHFFFAOYSA-N
XLogP1.34
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.34
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 6-(5-hydroxypentyl)pyran-2-one?
The IUPAC name of 6-(5-hydroxypentyl)pyran-2-one (CID 15789297) is 6-(5-hydroxypentyl)pyran-2-one.
What is the SMILES notation for 6-(5-hydroxypentyl)pyran-2-one?
The canonical SMILES for 6-(5-hydroxypentyl)pyran-2-one is O=c1cccc(CCCCCO)o1.
What is the InChIKey of 6-(5-hydroxypentyl)pyran-2-one?
The InChIKey is MIGMOZQMTSKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-8-3-1-2-5-9-6-4-7-10(12)13-9/h4,6-7,11H,1-3,5,8H2.
What are the key properties of 6-(5-hydroxypentyl)pyran-2-one?
6-(5-hydroxypentyl)pyran-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxypentyl)pyran-2-one is sourced from PubChem (CID 15789297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).