[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate

C13H18O5 — CID 15723393

IUPAC[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate
SMILESCC(=O)OC(C1=CC(=O)OC1O)C1CCCCC1
InChIInChI=1S/C13H18O5/c1-8(14)17-12(9-5-3-2-4-6-9)10-7-11(15)18-13(10)16/h7,9,12-13,16H,2-6H2,1H3
InChIKeyJJIVIKVCROIQQC-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.30
Rot. Bonds3

About [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate

[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate (PubChem CID 15723393) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate.

Molecular Properties

Compound Name[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate
PubChem CID15723393
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate
SMILESCC(=O)OC(C1=CC(=O)OC1O)C1CCCCC1
InChIInChI=1S/C13H18O5/c1-8(14)17-12(9-5-3-2-4-6-9)10-7-11(15)18-13(10)16/h7,9,12-13,16H,2-6H2,1H3
InChIKeyJJIVIKVCROIQQC-UHFFFAOYSA-N
XLogP1.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate?
The IUPAC name of [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate (CID 15723393) is [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate.
What is the SMILES notation for [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate?
The canonical SMILES for [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate is CC(=O)OC(C1=CC(=O)OC1O)C1CCCCC1.
What is the InChIKey of [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate?
The InChIKey is JJIVIKVCROIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(14)17-12(9-5-3-2-4-6-9)10-7-11(15)18-13(10)16/h7,9,12-13,16H,2-6H2,1H3.
What are the key properties of [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate?
[cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate has a molecular weight of 254.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-(2-hydroxy-5-oxo-2H-furan-3-yl)methyl] acetate is sourced from PubChem (CID 15723393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).