1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate

C13H28O6 — CID 159055885

IUPAC1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
SMILESCCOCCOCCOCC.COCCOC(C)=O
InChIInChI=1S/C8H18O3.C5H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-5(6)8-4-3-7-2/h3-8H2,1-2H3;3-4H2,1-2H3
InChIKeyJXVUTSXUBBJHTM-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.27
Rot. Bonds11

About 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate

1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate (PubChem CID 159055885) has the molecular formula C13H28O6 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
PubChem CID159055885
Molecular FormulaC13H28O6
Molecular Weight280.36 g/mol
Exact Mass280.19
IUPAC Name1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
SMILESCCOCCOCCOCC.COCCOC(C)=O
InChIInChI=1S/C8H18O3.C5H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-5(6)8-4-3-7-2/h3-8H2,1-2H3;3-4H2,1-2H3
InChIKeyJXVUTSXUBBJHTM-UHFFFAOYSA-N
XLogP1.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate?
The IUPAC name of 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate (CID 159055885) is 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate.
What is the SMILES notation for 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate?
The canonical SMILES for 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate is CCOCCOCCOCC.COCCOC(C)=O.
What is the InChIKey of 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate?
The InChIKey is JXVUTSXUBBJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C5H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-5(6)8-4-3-7-2/h3-8H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate?
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate has a molecular weight of 280.36 g/mol, XLogP of 1.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate is sourced from PubChem (CID 159055885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).