cyclobutyl(oxan-4-yl)methanone

C10H16O2 — CID 64982352

IUPACcyclobutyl(oxan-4-yl)methanone
SMILESO=C(C1CCC1)C1CCOCC1
InChIInChI=1S/C10H16O2/c11-10(8-2-1-3-8)9-4-6-12-7-5-9/h8-9H,1-7H2
InChIKeyAZGFRXQLOQXNCC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About cyclobutyl(oxan-4-yl)methanone

cyclobutyl(oxan-4-yl)methanone (PubChem CID 64982352) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclobutyl(oxan-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(oxan-4-yl)methanone
PubChem CID64982352
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclobutyl(oxan-4-yl)methanone
SMILESO=C(C1CCC1)C1CCOCC1
InChIInChI=1S/C10H16O2/c11-10(8-2-1-3-8)9-4-6-12-7-5-9/h8-9H,1-7H2
InChIKeyAZGFRXQLOQXNCC-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclobutyl(oxan-4-yl)methanone 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 cyclobutyl(oxan-4-yl)methanone?
The IUPAC name of cyclobutyl(oxan-4-yl)methanone (CID 64982352) is cyclobutyl(oxan-4-yl)methanone.
What is the SMILES notation for cyclobutyl(oxan-4-yl)methanone?
The canonical SMILES for cyclobutyl(oxan-4-yl)methanone is O=C(C1CCC1)C1CCOCC1.
What is the InChIKey of cyclobutyl(oxan-4-yl)methanone?
The InChIKey is AZGFRXQLOQXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(8-2-1-3-8)9-4-6-12-7-5-9/h8-9H,1-7H2.
What are the key properties of cyclobutyl(oxan-4-yl)methanone?
cyclobutyl(oxan-4-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(oxan-4-yl)methanone is sourced from PubChem (CID 64982352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).