2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane

C13H24O5 — CID 90914549

IUPAC2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
SMILESCOCCC1CCOC1COCC1COCCO1
InChIInChI=1S/C13H24O5/c1-14-4-2-11-3-5-18-13(11)10-16-9-12-8-15-6-7-17-12/h11-13H,2-10H2,1H3
InChIKeyLCDOSTFKODPIGW-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.86
Rot. Bonds7

About 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane

2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane (PubChem CID 90914549) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
PubChem CID90914549
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
SMILESCOCCC1CCOC1COCC1COCCO1
InChIInChI=1S/C13H24O5/c1-14-4-2-11-3-5-18-13(11)10-16-9-12-8-15-6-7-17-12/h11-13H,2-10H2,1H3
InChIKeyLCDOSTFKODPIGW-UHFFFAOYSA-N
XLogP0.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane?
The IUPAC name of 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane (CID 90914549) is 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane.
What is the SMILES notation for 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane?
The canonical SMILES for 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane is COCCC1CCOC1COCC1COCCO1.
What is the InChIKey of 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane?
The InChIKey is LCDOSTFKODPIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-14-4-2-11-3-5-18-13(11)10-16-9-12-8-15-6-7-17-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane?
2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane has a molecular weight of 260.33 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane is sourced from PubChem (CID 90914549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).