4-[1-(2-methoxyethoxy)ethyl]oxane

C10H20O3 — CID 89199017

IUPAC4-[1-(2-methoxyethoxy)ethyl]oxane
SMILESCOCCOC(C)C1CCOCC1
InChIInChI=1S/C10H20O3/c1-9(13-8-7-11-2)10-3-5-12-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyPIXNYDDRWGSRBW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.46
Rot. Bonds5

About 4-[1-(2-methoxyethoxy)ethyl]oxane

4-[1-(2-methoxyethoxy)ethyl]oxane (PubChem CID 89199017) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[1-(2-methoxyethoxy)ethyl]oxane.

Molecular Properties

Compound Name4-[1-(2-methoxyethoxy)ethyl]oxane
PubChem CID89199017
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-[1-(2-methoxyethoxy)ethyl]oxane
SMILESCOCCOC(C)C1CCOCC1
InChIInChI=1S/C10H20O3/c1-9(13-8-7-11-2)10-3-5-12-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyPIXNYDDRWGSRBW-UHFFFAOYSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethoxy)ethyl]oxane?
The IUPAC name of 4-[1-(2-methoxyethoxy)ethyl]oxane (CID 89199017) is 4-[1-(2-methoxyethoxy)ethyl]oxane.
What is the SMILES notation for 4-[1-(2-methoxyethoxy)ethyl]oxane?
The canonical SMILES for 4-[1-(2-methoxyethoxy)ethyl]oxane is COCCOC(C)C1CCOCC1.
What is the InChIKey of 4-[1-(2-methoxyethoxy)ethyl]oxane?
The InChIKey is PIXNYDDRWGSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(13-8-7-11-2)10-3-5-12-6-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyethoxy)ethyl]oxane?
4-[1-(2-methoxyethoxy)ethyl]oxane has a molecular weight of 188.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethoxy)ethyl]oxane is sourced from PubChem (CID 89199017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).