4-hydroxy-6-(2-oxoundecyl)pyran-2-one

C16H24O4 — CID 86009384

IUPAC4-hydroxy-6-(2-oxoundecyl)pyran-2-one
SMILESCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)10-15-11-14(18)12-16(19)20-15/h11-12,18H,2-10H2,1H3
InChIKeyXTMFCMYEONNVLP-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.60
Rot. Bonds10

About 4-hydroxy-6-(2-oxoundecyl)pyran-2-one

4-hydroxy-6-(2-oxoundecyl)pyran-2-one (PubChem CID 86009384) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-hydroxy-6-(2-oxoundecyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-oxoundecyl)pyran-2-one
PubChem CID86009384
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name4-hydroxy-6-(2-oxoundecyl)pyran-2-one
SMILESCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)10-15-11-14(18)12-16(19)20-15/h11-12,18H,2-10H2,1H3
InChIKeyXTMFCMYEONNVLP-UHFFFAOYSA-N
XLogP3.60
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pogostone
CID 54695756
4-Hydroxy-3-nonanoyl-6-octyl-pyran-2-one
CID 54737457
Sch 419560
CID 54710733
4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one
CID 54684273
3-Decanoyl-4-hydroxy-6-nonyl-pyran-2-one
CID 54736658
6-Heptyl-4-hydroxy-3-octanoyl-pyran-2-one
CID 54678949
3-Hexanoyl-4-hydroxy-6-pentylpyran-2-one
CID 54707176
3-Butyryl-4-hydroxy-6-propyl-2H-pyran-2-one
CID 54715325
3-Hexyl-6-pentyl-4-hydroxyl-2h-pyran-2-one
CID 54678993
Violapyrone D
CID 72947853
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxohexyl)-
CID 54721834
4-Hydroxy-6-(2-oxoheptyl)pyran-2-one
CID 54686805

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-oxoundecyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-oxoundecyl)pyran-2-one (CID 86009384) is 4-hydroxy-6-(2-oxoundecyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-oxoundecyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-oxoundecyl)pyran-2-one is CCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-oxoundecyl)pyran-2-one?
The InChIKey is XTMFCMYEONNVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)10-15-11-14(18)12-16(19)20-15/h11-12,18H,2-10H2,1H3.
What are the key properties of 4-hydroxy-6-(2-oxoundecyl)pyran-2-one?
4-hydroxy-6-(2-oxoundecyl)pyran-2-one has a molecular weight of 280.36 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-oxoundecyl)pyran-2-one is sourced from PubChem (CID 86009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).