4-hydroxy-6-nonylpyran-2-one

C14H22O3 — CID 54735926

IUPAC4-hydroxy-6-nonylpyran-2-one
SMILESCCCCCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14(16)17-13/h10-11,15H,2-9H2,1H3
InChIKeyWOLKINVJRRXENQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.64
Rot. Bonds8

About 4-hydroxy-6-nonylpyran-2-one

4-hydroxy-6-nonylpyran-2-one (PubChem CID 54735926) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-hydroxy-6-nonylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-nonylpyran-2-one
PubChem CID54735926
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-hydroxy-6-nonylpyran-2-one
SMILESCCCCCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14(16)17-13/h10-11,15H,2-9H2,1H3
InChIKeyWOLKINVJRRXENQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.64
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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Related Compounds

4-Hydroxy-6-pentyl-2H-pyran-2-one
CID 54686804
Sch 419560
CID 54710733
4-Hydroxy-6-pentadecylpyran-2-one
CID 54698088
4-methyl-6-[8-(4-methyl-2-oxo-2H-pyran-6-yl)octyl]-2H-pyran-2-one
CID 1810986
3-Hexyl-6-pentyl-4-hydroxyl-2h-pyran-2-one
CID 54678993
Violapyrone B
CID 71607042
Presuficidin B
CID 71607046
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
4-hydroxy-6-propyl-2H-pyran-2-one
CID 54686806
4-Hydroxy-6-(2-oxoheptyl)pyran-2-one
CID 54686805
6-heptyl-4-hydroxy-2H-pyran-2-one
CID 54678950
4-Hydroxy-6-undecyl-2H-pyran-2-one
CID 54693753

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-nonylpyran-2-one?
The IUPAC name of 4-hydroxy-6-nonylpyran-2-one (CID 54735926) is 4-hydroxy-6-nonylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-nonylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-nonylpyran-2-one is CCCCCCCCCc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-nonylpyran-2-one?
The InChIKey is WOLKINVJRRXENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14(16)17-13/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-hydroxy-6-nonylpyran-2-one?
4-hydroxy-6-nonylpyran-2-one has a molecular weight of 238.33 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-nonylpyran-2-one is sourced from PubChem (CID 54735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).