5-cyclohexyloxolan-3-one

C10H16O2 — CID 10654673

IUPAC5-cyclohexyloxolan-3-one
SMILESO=C1COC(C2CCCCC2)C1
InChIInChI=1S/C10H16O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKWKJNTUSCAOUBD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds1

About 5-cyclohexyloxolan-3-one

5-cyclohexyloxolan-3-one (PubChem CID 10654673) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-cyclohexyloxolan-3-one.

Molecular Properties

Compound Name5-cyclohexyloxolan-3-one
PubChem CID10654673
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-cyclohexyloxolan-3-one
SMILESO=C1COC(C2CCCCC2)C1
InChIInChI=1S/C10H16O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKWKJNTUSCAOUBD-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxolan-3-one?
The IUPAC name of 5-cyclohexyloxolan-3-one (CID 10654673) is 5-cyclohexyloxolan-3-one.
What is the SMILES notation for 5-cyclohexyloxolan-3-one?
The canonical SMILES for 5-cyclohexyloxolan-3-one is O=C1COC(C2CCCCC2)C1.
What is the InChIKey of 5-cyclohexyloxolan-3-one?
The InChIKey is KWKJNTUSCAOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2.
What are the key properties of 5-cyclohexyloxolan-3-one?
5-cyclohexyloxolan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxolan-3-one is sourced from PubChem (CID 10654673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).