2-hydroxy-6-undecyl-2H-pyran-5-one

C16H28O3 — CID 14827354

IUPAC2-hydroxy-6-undecyl-2H-pyran-5-one
SMILESCCCCCCCCCCCC1OC(O)C=CC1=O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15-14(17)12-13-16(18)19-15/h12-13,15-16,18H,2-11H2,1H3
InChIKeyUTVUOHXZYOYDAS-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds10

About 2-hydroxy-6-undecyl-2H-pyran-5-one

2-hydroxy-6-undecyl-2H-pyran-5-one (PubChem CID 14827354) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-hydroxy-6-undecyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-undecyl-2H-pyran-5-one
PubChem CID14827354
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-hydroxy-6-undecyl-2H-pyran-5-one
SMILESCCCCCCCCCCCC1OC(O)C=CC1=O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15-14(17)12-13-16(18)19-15/h12-13,15-16,18H,2-11H2,1H3
InChIKeyUTVUOHXZYOYDAS-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
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

2-Hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 17757387
Sacrolide A
CID 101883941
9-epi-sacrolide A
CID 132571557
15,16-Dihydrosacrolide A
CID 132571558
(2R,6R,8S)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134139440
(2S,6S,8R)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134142246
6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
6-Tert-butylperoxy-2-heptyl-6-methylpyran-3-one
CID 11174032
2-Hexyl-6-hydroxy-6-methylpyran-3-one
CID 12360610
2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
CID 13005830

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-undecyl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-undecyl-2H-pyran-5-one (CID 14827354) is 2-hydroxy-6-undecyl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-undecyl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-undecyl-2H-pyran-5-one is CCCCCCCCCCCC1OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6-undecyl-2H-pyran-5-one?
The InChIKey is UTVUOHXZYOYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15-14(17)12-13-16(18)19-15/h12-13,15-16,18H,2-11H2,1H3.
What are the key properties of 2-hydroxy-6-undecyl-2H-pyran-5-one?
2-hydroxy-6-undecyl-2H-pyran-5-one has a molecular weight of 268.40 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-undecyl-2H-pyran-5-one is sourced from PubChem (CID 14827354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).