5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane

C11H22O4 — CID 20981491

IUPAC5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane
SMILESCCOCC1CC(OC)C(OCC)CO1
InChIInChI=1S/C11H22O4/c1-4-13-7-9-6-10(12-3)11(8-15-9)14-5-2/h9-11H,4-8H2,1-3H3
InChIKeySFTVXJXRAMHYEZ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.23
Rot. Bonds6

About 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane

5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane (PubChem CID 20981491) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane.

Molecular Properties

Compound Name5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane
PubChem CID20981491
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane
SMILESCCOCC1CC(OC)C(OCC)CO1
InChIInChI=1S/C11H22O4/c1-4-13-7-9-6-10(12-3)11(8-15-9)14-5-2/h9-11H,4-8H2,1-3H3
InChIKeySFTVXJXRAMHYEZ-UHFFFAOYSA-N
XLogP1.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane?
The IUPAC name of 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane (CID 20981491) is 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane.
What is the SMILES notation for 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane?
The canonical SMILES for 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane is CCOCC1CC(OC)C(OCC)CO1.
What is the InChIKey of 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane?
The InChIKey is SFTVXJXRAMHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-13-7-9-6-10(12-3)11(8-15-9)14-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane?
5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane has a molecular weight of 218.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane is sourced from PubChem (CID 20981491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).