1,2,3,4-tetramethoxybutane

C8H18O4 — CID 542388

IUPAC1,2,3,4-tetramethoxybutane
SMILESCOCC(OC)C(COC)OC
InChIInChI=1S/C8H18O4/c1-9-5-7(11-3)8(12-4)6-10-2/h7-8H,5-6H2,1-4H3
InChIKeyUOTINMFZLVZNEW-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.31
Rot. Bonds7

About 1,2,3,4-tetramethoxybutane

1,2,3,4-tetramethoxybutane (PubChem CID 542388) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxybutane.

Molecular Properties

Compound Name1,2,3,4-tetramethoxybutane
PubChem CID542388
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1,2,3,4-tetramethoxybutane
SMILESCOCC(OC)C(COC)OC
InChIInChI=1S/C8H18O4/c1-9-5-7(11-3)8(12-4)6-10-2/h7-8H,5-6H2,1-4H3
InChIKeyUOTINMFZLVZNEW-UHFFFAOYSA-N
XLogP0.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4-tetramethoxybutane 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 1,2,3,4-tetramethoxybutane?
The IUPAC name of 1,2,3,4-tetramethoxybutane (CID 542388) is 1,2,3,4-tetramethoxybutane.
What is the SMILES notation for 1,2,3,4-tetramethoxybutane?
The canonical SMILES for 1,2,3,4-tetramethoxybutane is COCC(OC)C(COC)OC.
What is the InChIKey of 1,2,3,4-tetramethoxybutane?
The InChIKey is UOTINMFZLVZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-9-5-7(11-3)8(12-4)6-10-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethoxybutane?
1,2,3,4-tetramethoxybutane has a molecular weight of 178.23 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxybutane is sourced from PubChem (CID 542388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).