2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane

C12H24O4 — CID 22719499

IUPAC2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane
SMILESC=COC(C)COC(C)COC(C)COC
InChIInChI=1S/C12H24O4/c1-6-14-11(3)8-16-12(4)9-15-10(2)7-13-5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyTXWRBQCHCVTGNT-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.99
Rot. Bonds10

About 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane

2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane (PubChem CID 22719499) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane.

Molecular Properties

Compound Name2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane
PubChem CID22719499
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane
SMILESC=COC(C)COC(C)COC(C)COC
InChIInChI=1S/C12H24O4/c1-6-14-11(3)8-16-12(4)9-15-10(2)7-13-5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyTXWRBQCHCVTGNT-UHFFFAOYSA-N
XLogP1.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane 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 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane?
The IUPAC name of 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane (CID 22719499) is 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane.
What is the SMILES notation for 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane?
The canonical SMILES for 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane is C=COC(C)COC(C)COC(C)COC.
What is the InChIKey of 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane?
The InChIKey is TXWRBQCHCVTGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-14-11(3)8-16-12(4)9-15-10(2)7-13-5/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane?
2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane has a molecular weight of 232.32 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenoxypropoxy)propoxy]-1-methoxypropane is sourced from PubChem (CID 22719499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).