1,2-bis(1-ethoxyethoxy)propane

C11H24O4 — CID 5362566

IUPAC1,2-bis(1-ethoxyethoxy)propane
SMILESCCOC(C)OCC(C)OC(C)OCC
InChIInChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3
InChIKeyTZVJNJVDGXFMCF-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.17
Rot. Bonds9

About 1,2-bis(1-ethoxyethoxy)propane

1,2-bis(1-ethoxyethoxy)propane (PubChem CID 5362566) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,2-bis(1-ethoxyethoxy)propane.

Molecular Properties

Compound Name1,2-bis(1-ethoxyethoxy)propane
PubChem CID5362566
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1,2-bis(1-ethoxyethoxy)propane
SMILESCCOC(C)OCC(C)OC(C)OCC
InChIInChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3
InChIKeyTZVJNJVDGXFMCF-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,2-bis(1-ethoxyethoxy)propane 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-bis(1-ethoxyethoxy)propane?
The IUPAC name of 1,2-bis(1-ethoxyethoxy)propane (CID 5362566) is 1,2-bis(1-ethoxyethoxy)propane.
What is the SMILES notation for 1,2-bis(1-ethoxyethoxy)propane?
The canonical SMILES for 1,2-bis(1-ethoxyethoxy)propane is CCOC(C)OCC(C)OC(C)OCC.
What is the InChIKey of 1,2-bis(1-ethoxyethoxy)propane?
The InChIKey is TZVJNJVDGXFMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,2-bis(1-ethoxyethoxy)propane?
1,2-bis(1-ethoxyethoxy)propane has a molecular weight of 220.31 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-ethoxyethoxy)propane is sourced from PubChem (CID 5362566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).