2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane

C13H28O3 — CID 155206802

IUPAC2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane
SMILESCCCOCCOCC(C)(C)OCC(C)C
InChIInChI=1S/C13H28O3/c1-6-7-14-8-9-15-11-13(4,5)16-10-12(2)3/h12H,6-11H2,1-5H3
InChIKeyWMTZUWHERBCIDE-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.88
Rot. Bonds10

About 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane

2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane (PubChem CID 155206802) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane
PubChem CID155206802
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane
SMILESCCCOCCOCC(C)(C)OCC(C)C
InChIInChI=1S/C13H28O3/c1-6-7-14-8-9-15-11-13(4,5)16-10-12(2)3/h12H,6-11H2,1-5H3
InChIKeyWMTZUWHERBCIDE-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane?
The IUPAC name of 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane (CID 155206802) is 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane.
What is the SMILES notation for 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane?
The canonical SMILES for 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane is CCCOCCOCC(C)(C)OCC(C)C.
What is the InChIKey of 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane?
The InChIKey is WMTZUWHERBCIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-6-7-14-8-9-15-11-13(4,5)16-10-12(2)3/h12H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane?
2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane has a molecular weight of 232.36 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane is sourced from PubChem (CID 155206802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).