4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one

C14H22O2 — CID 10822930

IUPAC4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1CCC1CCCCC1
InChIInChI=1S/C14H22O2/c1-14(2)12(10-13(15)16-14)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyRYQGGPCEOMJOIR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds3

About 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one

4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one (PubChem CID 10822930) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
PubChem CID10822930
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C=C1CCC1CCCCC1
InChIInChI=1S/C14H22O2/c1-14(2)12(10-13(15)16-14)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyRYQGGPCEOMJOIR-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one?
The IUPAC name of 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one (CID 10822930) is 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one is CC1(C)OC(=O)C=C1CCC1CCCCC1.
What is the InChIKey of 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one?
The InChIKey is RYQGGPCEOMJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2)12(10-13(15)16-14)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one?
4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one is sourced from PubChem (CID 10822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).