4-hydroxy-6-undecan-5-ylpyran-2-one

C16H26O3 — CID 54693756

IUPAC4-hydroxy-6-undecan-5-ylpyran-2-one
SMILESCCCCCCC(CCCC)c1cc(O)cc(=O)o1
InChIInChI=1S/C16H26O3/c1-3-5-7-8-10-13(9-6-4-2)15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
InChIKeyTZOCGXVDSXCGTF-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.59
Rot. Bonds9

About 4-hydroxy-6-undecan-5-ylpyran-2-one

4-hydroxy-6-undecan-5-ylpyran-2-one (PubChem CID 54693756) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-hydroxy-6-undecan-5-ylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-undecan-5-ylpyran-2-one
PubChem CID54693756
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-hydroxy-6-undecan-5-ylpyran-2-one
SMILESCCCCCCC(CCCC)c1cc(O)cc(=O)o1
InChIInChI=1S/C16H26O3/c1-3-5-7-8-10-13(9-6-4-2)15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
InChIKeyTZOCGXVDSXCGTF-UHFFFAOYSA-N
XLogP4.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-6-undecan-5-ylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-6-pentylpyran-2-one
CID 54686804
6-(1,2-dihydroxyheptyl)-4-methoxypyran-2-one
CID 163065174
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
3-heptadecan-4-yl-7-hydroxychromen-2-one
CID 87130411
4-hexadecan-7-ylphenol
CID 71320883
2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
CID 132521617
2-undecan-5-ylbenzene-1,3-diol
CID 67418377
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
6-(1-aminobutyl)-4-heptoxypyran-2-one
CID 154956435
4-undecan-6-ylphenol
CID 66867197
formaldehyde;2-tridecan-5-ylphenol
CID 130205554

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-undecan-5-ylpyran-2-one?
The IUPAC name of 4-hydroxy-6-undecan-5-ylpyran-2-one (CID 54693756) is 4-hydroxy-6-undecan-5-ylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-undecan-5-ylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-undecan-5-ylpyran-2-one is CCCCCCC(CCCC)c1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-undecan-5-ylpyran-2-one?
The InChIKey is TZOCGXVDSXCGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-5-7-8-10-13(9-6-4-2)15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 4-hydroxy-6-undecan-5-ylpyran-2-one?
4-hydroxy-6-undecan-5-ylpyran-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-undecan-5-ylpyran-2-one is sourced from PubChem (CID 54693756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).