4-hydroxy-6-pentadecylpyran-2-one

C20H34O3 — CID 54698088

IUPAC4-hydroxy-6-pentadecylpyran-2-one
SMILESCCCCCCCCCCCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(21)17-20(22)23-19/h16-17,21H,2-15H2,1H3
InChIKeyYDVWWMILPXBXSV-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.98
Rot. Bonds14

About 4-hydroxy-6-pentadecylpyran-2-one

4-hydroxy-6-pentadecylpyran-2-one (PubChem CID 54698088) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 4-hydroxy-6-pentadecylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-pentadecylpyran-2-one
PubChem CID54698088
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name4-hydroxy-6-pentadecylpyran-2-one
SMILESCCCCCCCCCCCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(21)17-20(22)23-19/h16-17,21H,2-15H2,1H3
InChIKeyYDVWWMILPXBXSV-UHFFFAOYSA-N
XLogP5.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.98
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 4-hydroxy-6-pentadecylpyran-2-one?
The IUPAC name of 4-hydroxy-6-pentadecylpyran-2-one (CID 54698088) is 4-hydroxy-6-pentadecylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-pentadecylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-pentadecylpyran-2-one is CCCCCCCCCCCCCCCc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-pentadecylpyran-2-one?
The InChIKey is YDVWWMILPXBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(21)17-20(22)23-19/h16-17,21H,2-15H2,1H3.
What are the key properties of 4-hydroxy-6-pentadecylpyran-2-one?
4-hydroxy-6-pentadecylpyran-2-one has a molecular weight of 322.49 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-pentadecylpyran-2-one is sourced from PubChem (CID 54698088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).