4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one

C10H14O2 — CID 58562558

IUPAC4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one
SMILESO=C1CCC(C2C=CCO2)CC1
InChIInChI=1S/C10H14O2/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-2,8,10H,3-7H2
InChIKeyVGQJINHXDZAQMA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds1

About 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one

4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one (PubChem CID 58562558) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one
PubChem CID58562558
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one
SMILESO=C1CCC(C2C=CCO2)CC1
InChIInChI=1S/C10H14O2/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-2,8,10H,3-7H2
InChIKeyVGQJINHXDZAQMA-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-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-(2,5-dihydrofuran-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one (CID 58562558) is 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one is O=C1CCC(C2C=CCO2)CC1.
What is the InChIKey of 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one?
The InChIKey is VGQJINHXDZAQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-2,8,10H,3-7H2.
What are the key properties of 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one?
4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydrofuran-2-yl)cyclohexan-1-one is sourced from PubChem (CID 58562558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).