3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane

C12H24O5 — CID 11334143

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane
SMILESCOCCOCCOCCOCC1(C)COC1
InChIInChI=1S/C12H24O5/c1-12(10-17-11-12)9-16-8-7-15-6-5-14-4-3-13-2/h3-11H2,1-2H3
InChIKeyZPWNPGZIXJHYCO-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.72
Rot. Bonds11

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane (PubChem CID 11334143) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane
PubChem CID11334143
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane
SMILESCOCCOCCOCCOCC1(C)COC1
InChIInChI=1S/C12H24O5/c1-12(10-17-11-12)9-16-8-7-15-6-5-14-4-3-13-2/h3-11H2,1-2H3
InChIKeyZPWNPGZIXJHYCO-UHFFFAOYSA-N
XLogP0.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane (CID 11334143) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane is COCCOCCOCCOCC1(C)COC1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane?
The InChIKey is ZPWNPGZIXJHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-12(10-17-11-12)9-16-8-7-15-6-5-14-4-3-13-2/h3-11H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane has a molecular weight of 248.32 g/mol, XLogP of 0.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-3-methyloxetane is sourced from PubChem (CID 11334143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).