(6S)-6-decyl-2-hydroxy-2H-pyran-5-one

C15H26O3 — CID 14641217

IUPAC(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
SMILESCCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-14-13(16)11-12-15(17)18-14/h11-12,14-15,17H,2-10H2,1H3/t14-,15?/m0/s1
InChIKeyZWUNUXNXAVPNGF-MLCCFXAWSA-N
MW254.37 g/mol
LogP3.36
Rot. Bonds9

About (6S)-6-decyl-2-hydroxy-2H-pyran-5-one

(6S)-6-decyl-2-hydroxy-2H-pyran-5-one (PubChem CID 14641217) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6S)-6-decyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
PubChem CID14641217
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
SMILESCCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-14-13(16)11-12-15(17)18-14/h11-12,14-15,17H,2-10H2,1H3/t14-,15?/m0/s1
InChIKeyZWUNUXNXAVPNGF-MLCCFXAWSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.36
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

(6R)-2-hydroxy-6-octyl-2H-pyran-5-one
CID 165416639
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
(4S,5S)-5-[(1S)-1-hydroxy-2-methylpropyl]-4-octylcyclopent-2-en-1-one
CID 134951927
(4-oxo-5-pentylcyclopent-2-en-1-yl) acetate
CID 14097491
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
(4S,5R)-5-heptyl-4-hydroxyoxolan-2-one
CID 102399491
2-hexyloxetan-3-one
CID 174264263
6-decyl-2-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 86215421
6-tert-butylperoxy-2-heptyl-6-methylpyran-3-one
CID 11174032

Frequently Asked Questions

What is the IUPAC name of (6S)-6-decyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (6S)-6-decyl-2-hydroxy-2H-pyran-5-one (CID 14641217) is (6S)-6-decyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (6S)-6-decyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (6S)-6-decyl-2-hydroxy-2H-pyran-5-one is CCCCCCCCCC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-6-decyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is ZWUNUXNXAVPNGF-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-14-13(16)11-12-15(17)18-14/h11-12,14-15,17H,2-10H2,1H3/t14-,15?/m0/s1.
What are the key properties of (6S)-6-decyl-2-hydroxy-2H-pyran-5-one?
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 254.37 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-decyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 14641217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).