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

C11H16O3 — CID 14641213

IUPAC6-cyclohexyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1C1CCCCC1
InChIInChI=1S/C11H16O3/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h6-8,10-11,13H,1-5H2
InChIKeyPSVNTNCFKUDHBO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds1

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

6-cyclohexyl-2-hydroxy-2H-pyran-5-one (PubChem CID 14641213) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-cyclohexyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name6-cyclohexyl-2-hydroxy-2H-pyran-5-one
PubChem CID14641213
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-cyclohexyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1C1CCCCC1
InChIInChI=1S/C11H16O3/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h6-8,10-11,13H,1-5H2
InChIKeyPSVNTNCFKUDHBO-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of 6-cyclohexyl-2-hydroxy-2H-pyran-5-one (CID 14641213) is 6-cyclohexyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for 6-cyclohexyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for 6-cyclohexyl-2-hydroxy-2H-pyran-5-one is O=C1C=CC(O)OC1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is PSVNTNCFKUDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-6-7-10(13)14-11(9)8-4-2-1-3-5-8/h6-8,10-11,13H,1-5H2.
What are the key properties of 6-cyclohexyl-2-hydroxy-2H-pyran-5-one?
6-cyclohexyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 14641213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).