2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane

C12H24O4 — CID 58827384

IUPAC2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane
SMILESCCOCCOCCOCC1OCC1(C)C
InChIInChI=1S/C12H24O4/c1-4-13-5-6-14-7-8-15-9-11-12(2,3)10-16-11/h11H,4-10H2,1-3H3
InChIKeyZEZYZZZQWWUSCC-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.48
Rot. Bonds9

About 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane

2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane (PubChem CID 58827384) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane
PubChem CID58827384
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane
SMILESCCOCCOCCOCC1OCC1(C)C
InChIInChI=1S/C12H24O4/c1-4-13-5-6-14-7-8-15-9-11-12(2,3)10-16-11/h11H,4-10H2,1-3H3
InChIKeyZEZYZZZQWWUSCC-UHFFFAOYSA-N
XLogP1.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane (CID 58827384) is 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane is CCOCCOCCOCC1OCC1(C)C.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane?
The InChIKey is ZEZYZZZQWWUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-13-5-6-14-7-8-15-9-11-12(2,3)10-16-11/h11H,4-10H2,1-3H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane?
2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane has a molecular weight of 232.32 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane is sourced from PubChem (CID 58827384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).