2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane

C11H22O5 — CID 104563941

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
SMILESCOCCOCCOCCC1OCCCO1
InChIInChI=1S/C11H22O5/c1-12-7-8-14-10-9-13-6-3-11-15-4-2-5-16-11/h11H,2-10H2,1H3
InChIKeyJPRFBBUTAVHNBU-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.82
Rot. Bonds9

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane (PubChem CID 104563941) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
PubChem CID104563941
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
SMILESCOCCOCCOCCC1OCCCO1
InChIInChI=1S/C11H22O5/c1-12-7-8-14-10-9-13-6-3-11-15-4-2-5-16-11/h11H,2-10H2,1H3
InChIKeyJPRFBBUTAVHNBU-UHFFFAOYSA-N
XLogP0.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
CID 66472542
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]oxirane
CID 140866657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane (CID 104563941) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane is COCCOCCOCCC1OCCCO1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane?
The InChIKey is JPRFBBUTAVHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-12-7-8-14-10-9-13-6-3-11-15-4-2-5-16-11/h11H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane has a molecular weight of 234.29 g/mol, XLogP of 0.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane is sourced from PubChem (CID 104563941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).