2,2-bis(ethoxymethyl)oxetane

C9H18O3 — CID 22486032

IUPAC2,2-bis(ethoxymethyl)oxetane
SMILESCCOCC1(COCC)CCO1
InChIInChI=1S/C9H18O3/c1-3-10-7-9(5-6-12-9)8-11-4-2/h3-8H2,1-2H3
InChIKeyUPFFPHKCLOQHIF-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.22
Rot. Bonds6

About 2,2-bis(ethoxymethyl)oxetane

2,2-bis(ethoxymethyl)oxetane (PubChem CID 22486032) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2-bis(ethoxymethyl)oxetane.

Molecular Properties

Compound Name2,2-bis(ethoxymethyl)oxetane
PubChem CID22486032
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,2-bis(ethoxymethyl)oxetane
SMILESCCOCC1(COCC)CCO1
InChIInChI=1S/C9H18O3/c1-3-10-7-9(5-6-12-9)8-11-4-2/h3-8H2,1-2H3
InChIKeyUPFFPHKCLOQHIF-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethoxymethyl)oxetane?
The IUPAC name of 2,2-bis(ethoxymethyl)oxetane (CID 22486032) is 2,2-bis(ethoxymethyl)oxetane.
What is the SMILES notation for 2,2-bis(ethoxymethyl)oxetane?
The canonical SMILES for 2,2-bis(ethoxymethyl)oxetane is CCOCC1(COCC)CCO1.
What is the InChIKey of 2,2-bis(ethoxymethyl)oxetane?
The InChIKey is UPFFPHKCLOQHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-10-7-9(5-6-12-9)8-11-4-2/h3-8H2,1-2H3.
What are the key properties of 2,2-bis(ethoxymethyl)oxetane?
2,2-bis(ethoxymethyl)oxetane has a molecular weight of 174.24 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethoxymethyl)oxetane is sourced from PubChem (CID 22486032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).