1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane

C12H26O4 — CID 21319773

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCC
InChIInChI=1S/C12H26O4/c1-3-5-6-14-9-10-16-12-11-15-8-7-13-4-2/h3-12H2,1-2H3
InChIKeyYACZKQWPZOWYQR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds13

About 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane (PubChem CID 21319773) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane
PubChem CID21319773
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCC
InChIInChI=1S/C12H26O4/c1-3-5-6-14-9-10-16-12-11-15-8-7-13-4-2/h3-12H2,1-2H3
InChIKeyYACZKQWPZOWYQR-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane (CID 21319773) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane is CCCCOCCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane?
The InChIKey is YACZKQWPZOWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-3-5-6-14-9-10-16-12-11-15-8-7-13-4-2/h3-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane has a molecular weight of 234.34 g/mol, XLogP of 1.87, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butane is sourced from PubChem (CID 21319773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).