2-(2-ethylhexyl)oxetane

C11H22O — CID 23081675

IUPAC2-(2-ethylhexyl)oxetane
SMILESCCCCC(CC)CC1CCO1
InChIInChI=1S/C11H22O/c1-3-5-6-10(4-2)9-11-7-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyLJWZDTGRJUXOCE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-ethylhexyl)oxetane

2-(2-ethylhexyl)oxetane (PubChem CID 23081675) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(2-ethylhexyl)oxetane.

Molecular Properties

Compound Name2-(2-ethylhexyl)oxetane
PubChem CID23081675
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-(2-ethylhexyl)oxetane
SMILESCCCCC(CC)CC1CCO1
InChIInChI=1S/C11H22O/c1-3-5-6-10(4-2)9-11-7-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyLJWZDTGRJUXOCE-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethylhexyl)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-(2-ethylhexyl)oxetane?
The IUPAC name of 2-(2-ethylhexyl)oxetane (CID 23081675) is 2-(2-ethylhexyl)oxetane.
What is the SMILES notation for 2-(2-ethylhexyl)oxetane?
The canonical SMILES for 2-(2-ethylhexyl)oxetane is CCCCC(CC)CC1CCO1.
What is the InChIKey of 2-(2-ethylhexyl)oxetane?
The InChIKey is LJWZDTGRJUXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-10(4-2)9-11-7-8-12-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)oxetane?
2-(2-ethylhexyl)oxetane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)oxetane is sourced from PubChem (CID 23081675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).