2-Cyclohexyl-3-hydroxypyran-4-one

C11H14O3 — CID 20237655

IUPAC2-cyclohexyl-3-hydroxypyran-4-one
SMILESC1CCC(CC1)C2=C(C(=O)C=CO2)O
InChIInChI=1S/C11H14O3/c12-9-6-7-14-11(10(9)13)8-4-2-1-3-5-8/h6-8,13H,1-5H2
InChIKeyHJIBFSCHDORGLN-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.20
Rot. Bonds1

About 2-Cyclohexyl-3-hydroxypyran-4-one

2-Cyclohexyl-3-hydroxypyran-4-one (PubChem CID 20237655) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclohexyl-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-Cyclohexyl-3-hydroxypyran-4-one
PubChem CID20237655
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-cyclohexyl-3-hydroxypyran-4-one
SMILESC1CCC(CC1)C2=C(C(=O)C=CO2)O
InChIInChI=1S/C11H14O3/c12-9-6-7-14-11(10(9)13)8-4-2-1-3-5-8/h6-8,13H,1-5H2
InChIKeyHJIBFSCHDORGLN-UHFFFAOYSA-N
XLogP2.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity296

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-Cyclohexyl-3-hydroxypyran-4-one?
The IUPAC name of 2-Cyclohexyl-3-hydroxypyran-4-one (CID 20237655) is 2-cyclohexyl-3-hydroxypyran-4-one.
What is the SMILES notation for 2-Cyclohexyl-3-hydroxypyran-4-one?
The canonical SMILES for 2-Cyclohexyl-3-hydroxypyran-4-one is C1CCC(CC1)C2=C(C(=O)C=CO2)O.
What is the InChIKey of 2-Cyclohexyl-3-hydroxypyran-4-one?
The InChIKey is HJIBFSCHDORGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-6-7-14-11(10(9)13)8-4-2-1-3-5-8/h6-8,13H,1-5H2.
What are the key properties of 2-Cyclohexyl-3-hydroxypyran-4-one?
2-Cyclohexyl-3-hydroxypyran-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Cyclohexyl-3-hydroxypyran-4-one is sourced from PubChem (CID 20237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).