2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane

C14H26O3 — CID 68619784

IUPAC2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane
SMILESCC(CCOCCC(C)C1CCO1)C1CCO1
InChIInChI=1S/C14H26O3/c1-11(13-5-9-16-13)3-7-15-8-4-12(2)14-6-10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyNINGLLBGEDAMIB-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.63
Rot. Bonds8

About 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane

2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane (PubChem CID 68619784) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane.

Molecular Properties

Compound Name2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane
PubChem CID68619784
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane
SMILESCC(CCOCCC(C)C1CCO1)C1CCO1
InChIInChI=1S/C14H26O3/c1-11(13-5-9-16-13)3-7-15-8-4-12(2)14-6-10-17-14/h11-14H,3-10H2,1-2H3
InChIKeyNINGLLBGEDAMIB-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane 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 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane?
The IUPAC name of 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane (CID 68619784) is 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane.
What is the SMILES notation for 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane?
The canonical SMILES for 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane is CC(CCOCCC(C)C1CCO1)C1CCO1.
What is the InChIKey of 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane?
The InChIKey is NINGLLBGEDAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(13-5-9-16-13)3-7-15-8-4-12(2)14-6-10-17-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane?
2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane has a molecular weight of 242.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(oxetan-2-yl)butoxy]butan-2-yl]oxetane is sourced from PubChem (CID 68619784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).