2-(2-methoxyethyl)-1,3-dioxane

C7H14O3 — CID 21134269

IUPAC2-(2-methoxyethyl)-1,3-dioxane
SMILESCOCCC1OCCCO1
InChIInChI=1S/C7H14O3/c1-8-6-3-7-9-4-2-5-10-7/h7H,2-6H2,1H3
InChIKeyDASOZMBOLNSPMT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-methoxyethyl)-1,3-dioxane

2-(2-methoxyethyl)-1,3-dioxane (PubChem CID 21134269) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3-dioxane
PubChem CID21134269
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2-methoxyethyl)-1,3-dioxane
SMILESCOCCC1OCCCO1
InChIInChI=1S/C7H14O3/c1-8-6-3-7-9-4-2-5-10-7/h7H,2-6H2,1H3
InChIKeyDASOZMBOLNSPMT-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3-dioxane?
The IUPAC name of 2-(2-methoxyethyl)-1,3-dioxane (CID 21134269) is 2-(2-methoxyethyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3-dioxane?
The canonical SMILES for 2-(2-methoxyethyl)-1,3-dioxane is COCCC1OCCCO1.
What is the InChIKey of 2-(2-methoxyethyl)-1,3-dioxane?
The InChIKey is DASOZMBOLNSPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-8-6-3-7-9-4-2-5-10-7/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1,3-dioxane?
2-(2-methoxyethyl)-1,3-dioxane has a molecular weight of 146.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3-dioxane is sourced from PubChem (CID 21134269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).