2-cyclohexyloxy-2H-pyran-5-one

C11H16O3 — CID 10607924

IUPAC2-cyclohexyloxy-2H-pyran-5-one
SMILESO=C1C=CC(OC2CCCCC2)OC1
InChIInChI=1S/C11H16O3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8H2
InChIKeyKTAKIXIECGUSQI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds2

About 2-cyclohexyloxy-2H-pyran-5-one

2-cyclohexyloxy-2H-pyran-5-one (PubChem CID 10607924) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclohexyloxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-cyclohexyloxy-2H-pyran-5-one
PubChem CID10607924
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-cyclohexyloxy-2H-pyran-5-one
SMILESO=C1C=CC(OC2CCCCC2)OC1
InChIInChI=1S/C11H16O3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8H2
InChIKeyKTAKIXIECGUSQI-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2H-pyran-5-one?
The IUPAC name of 2-cyclohexyloxy-2H-pyran-5-one (CID 10607924) is 2-cyclohexyloxy-2H-pyran-5-one.
What is the SMILES notation for 2-cyclohexyloxy-2H-pyran-5-one?
The canonical SMILES for 2-cyclohexyloxy-2H-pyran-5-one is O=C1C=CC(OC2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyloxy-2H-pyran-5-one?
The InChIKey is KTAKIXIECGUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8H2.
What are the key properties of 2-cyclohexyloxy-2H-pyran-5-one?
2-cyclohexyloxy-2H-pyran-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2H-pyran-5-one is sourced from PubChem (CID 10607924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).