2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane

C13H28O3 — CID 22002840

IUPAC2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane
SMILESCCCOC(C)COC(C)COC(C)(C)C
InChIInChI=1S/C13H28O3/c1-7-8-14-11(2)9-15-12(3)10-16-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyKNUBKPXYWUOVMW-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds8

About 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane

2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane (PubChem CID 22002840) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane
PubChem CID22002840
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane
SMILESCCCOC(C)COC(C)COC(C)(C)C
InChIInChI=1S/C13H28O3/c1-7-8-14-11(2)9-15-12(3)10-16-13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyKNUBKPXYWUOVMW-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[2-(2-propoxypropoxy)propoxy]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 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane?
The IUPAC name of 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane (CID 22002840) is 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane.
What is the SMILES notation for 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane?
The canonical SMILES for 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane is CCCOC(C)COC(C)COC(C)(C)C.
What is the InChIKey of 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane?
The InChIKey is KNUBKPXYWUOVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-7-8-14-11(2)9-15-12(3)10-16-13(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane?
2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-propoxypropoxy)propoxy]propane is sourced from PubChem (CID 22002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).