3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane

C11H22O3 — CID 57057164

IUPAC3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane
SMILESCCC1(COCOCC(C)C)COC1
InChIInChI=1S/C11H22O3/c1-4-11(6-13-7-11)8-14-9-12-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeyPWGAXPBJOGFFMY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.06
Rot. Bonds7

About 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane

3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane (PubChem CID 57057164) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane
PubChem CID57057164
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane
SMILESCCC1(COCOCC(C)C)COC1
InChIInChI=1S/C11H22O3/c1-4-11(6-13-7-11)8-14-9-12-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeyPWGAXPBJOGFFMY-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane (CID 57057164) is 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane is CCC1(COCOCC(C)C)COC1.
What is the InChIKey of 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane?
The InChIKey is PWGAXPBJOGFFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-11(6-13-7-11)8-14-9-12-5-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane?
3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane has a molecular weight of 202.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane is sourced from PubChem (CID 57057164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).