2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane

C11H20O5 — CID 15527222

IUPAC2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane
SMILESC=COCCOCCOCCOCC1CO1
InChIInChI=1S/C11H20O5/c1-2-12-3-4-13-5-6-14-7-8-15-9-11-10-16-11/h2,11H,1,3-10H2
InChIKeySBHDETUEBCXXTL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.60
Rot. Bonds12

About 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane

2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane (PubChem CID 15527222) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane
PubChem CID15527222
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane
SMILESC=COCCOCCOCCOCC1CO1
InChIInChI=1S/C11H20O5/c1-2-12-3-4-13-5-6-14-7-8-15-9-11-10-16-11/h2,11H,1,3-10H2
InChIKeySBHDETUEBCXXTL-UHFFFAOYSA-N
XLogP0.60
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane 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-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane (CID 15527222) is 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane is C=COCCOCCOCCOCC1CO1.
What is the InChIKey of 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane?
The InChIKey is SBHDETUEBCXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-2-12-3-4-13-5-6-14-7-8-15-9-11-10-16-11/h2,11H,1,3-10H2.
What are the key properties of 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane?
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane has a molecular weight of 232.28 g/mol, XLogP of 0.60, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 15527222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).