2-cyclohexyl-6-hydroxy-6-methylpyran-3-one

C12H18O3 — CID 11160130

IUPAC2-cyclohexyl-6-hydroxy-6-methylpyran-3-one
SMILESCC1(O)C=CC(=O)C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(14)8-7-10(13)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyCFPDVDZBEDEXLH-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.80
Rot. Bonds1

About 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one

2-cyclohexyl-6-hydroxy-6-methylpyran-3-one (PubChem CID 11160130) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one.

Molecular Properties

Compound Name2-cyclohexyl-6-hydroxy-6-methylpyran-3-one
PubChem CID11160130
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-cyclohexyl-6-hydroxy-6-methylpyran-3-one
SMILESCC1(O)C=CC(=O)C(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-12(14)8-7-10(13)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3
InChIKeyCFPDVDZBEDEXLH-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-Cyclohexyl-6-hydroperoxy-6-methylpyran-3-one
CID 11310684
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
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217
2-Hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
CID 15190721
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione
CID 134840437
2-Hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
CID 135075806

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one?
The IUPAC name of 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one (CID 11160130) is 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one.
What is the SMILES notation for 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one?
The canonical SMILES for 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one is CC1(O)C=CC(=O)C(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one?
The InChIKey is CFPDVDZBEDEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(14)8-7-10(13)11(15-12)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one?
2-cyclohexyl-6-hydroxy-6-methylpyran-3-one has a molecular weight of 210.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-hydroxy-6-methylpyran-3-one is sourced from PubChem (CID 11160130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).