4-(cyclohexylmethyl)-2H-furan-5-one

C11H16O2 — CID 13441437

IUPAC4-(cyclohexylmethyl)-2H-furan-5-one
SMILESO=C1OCC=C1CC1CCCCC1
InChIInChI=1S/C11H16O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2
InChIKeyOPJIOPSZNYNDPX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds2

About 4-(cyclohexylmethyl)-2H-furan-5-one

4-(cyclohexylmethyl)-2H-furan-5-one (PubChem CID 13441437) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2H-furan-5-one
PubChem CID13441437
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(cyclohexylmethyl)-2H-furan-5-one
SMILESO=C1OCC=C1CC1CCCCC1
InChIInChI=1S/C11H16O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2
InChIKeyOPJIOPSZNYNDPX-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(cyclohexylmethyl)-2H-furan-5-one 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 4-(cyclohexylmethyl)-2H-furan-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-2H-furan-5-one (CID 13441437) is 4-(cyclohexylmethyl)-2H-furan-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2H-furan-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2H-furan-5-one is O=C1OCC=C1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-2H-furan-5-one?
The InChIKey is OPJIOPSZNYNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h6,9H,1-5,7-8H2.
What are the key properties of 4-(cyclohexylmethyl)-2H-furan-5-one?
4-(cyclohexylmethyl)-2H-furan-5-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2H-furan-5-one is sourced from PubChem (CID 13441437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).