3-decyl-4-hydroxy-6-methylpyran-2-one

C16H26O3 — CID 86101794

IUPAC3-decyl-4-hydroxy-6-methylpyran-2-one
SMILESCCCCCCCCCCc1c(O)cc(C)oc1=O
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-11-14-15(17)12-13(2)19-16(14)18/h12,17H,3-11H2,1-2H3
InChIKeyFBTMHNSCDQPDBA-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.34
Rot. Bonds9

About 3-decyl-4-hydroxy-6-methylpyran-2-one

3-decyl-4-hydroxy-6-methylpyran-2-one (PubChem CID 86101794) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-decyl-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-decyl-4-hydroxy-6-methylpyran-2-one
PubChem CID86101794
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-decyl-4-hydroxy-6-methylpyran-2-one
SMILESCCCCCCCCCCc1c(O)cc(C)oc1=O
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-11-14-15(17)12-13(2)19-16(14)18/h12,17H,3-11H2,1-2H3
InChIKeyFBTMHNSCDQPDBA-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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

3,6-dihexyl-4-hydroxypyran-2-one
CID 54690712
3-hexanoyl-4-hydroxy-6-methylpyran-2-one
CID 54721834
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
2-decyl-3,4,5-trimethylphenol
CID 151136943
2,3,4,5-tetradodecylphenol
CID 21465809
4-chloro-5-methyl-2-nonylbenzene-1,3-diol;formaldehyde
CID 174497632
2,3-dihexylbenzene-1,4-diol
CID 69329716
3-hexyl-4-methoxy-6-undecylpyran-2-one
CID 18997489
CID 10793855
CID 10793855
6-heptyl-4-hydroxy-5-prop-2-enylpyran-2-one
CID 54706184

Frequently Asked Questions

What is the IUPAC name of 3-decyl-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-decyl-4-hydroxy-6-methylpyran-2-one (CID 86101794) is 3-decyl-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-decyl-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-decyl-4-hydroxy-6-methylpyran-2-one is CCCCCCCCCCc1c(O)cc(C)oc1=O.
What is the InChIKey of 3-decyl-4-hydroxy-6-methylpyran-2-one?
The InChIKey is FBTMHNSCDQPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-11-14-15(17)12-13(2)19-16(14)18/h12,17H,3-11H2,1-2H3.
What are the key properties of 3-decyl-4-hydroxy-6-methylpyran-2-one?
3-decyl-4-hydroxy-6-methylpyran-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 86101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).