2-(ethoxymethyl)-1,4-dioxane

C7H14O3 — CID 20725722

IUPAC2-(ethoxymethyl)-1,4-dioxane
SMILESCCOCC1COCCO1
InChIInChI=1S/C7H14O3/c1-2-8-5-7-6-9-3-4-10-7/h7H,2-6H2,1H3
InChIKeyGHCGFEQTQNRJCR-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.44
Rot. Bonds3

About 2-(ethoxymethyl)-1,4-dioxane

2-(ethoxymethyl)-1,4-dioxane (PubChem CID 20725722) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,4-dioxane
PubChem CID20725722
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(ethoxymethyl)-1,4-dioxane
SMILESCCOCC1COCCO1
InChIInChI=1S/C7H14O3/c1-2-8-5-7-6-9-3-4-10-7/h7H,2-6H2,1H3
InChIKeyGHCGFEQTQNRJCR-UHFFFAOYSA-N
XLogP0.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 118052162
(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
CID 167458632
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl methanesulfonate
CID 10714329
(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane
CID 88701296
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
3-(ethoxymethyl)-7-methyl-1,2,5-trioxepane
CID 87172185
ethoxyethane;oxirane
CID 87097695
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,4-dioxane?
The IUPAC name of 2-(ethoxymethyl)-1,4-dioxane (CID 20725722) is 2-(ethoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-(ethoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-(ethoxymethyl)-1,4-dioxane is CCOCC1COCCO1.
What is the InChIKey of 2-(ethoxymethyl)-1,4-dioxane?
The InChIKey is GHCGFEQTQNRJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-8-5-7-6-9-3-4-10-7/h7H,2-6H2,1H3.
What are the key properties of 2-(ethoxymethyl)-1,4-dioxane?
2-(ethoxymethyl)-1,4-dioxane has a molecular weight of 146.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,4-dioxane is sourced from PubChem (CID 20725722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).