1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane

C9H20O3 — CID 13445095

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
SMILESCOCCOCCOCC(C)C
InChIInChI=1S/C9H20O3/c1-9(2)8-12-7-6-11-5-4-10-3/h9H,4-8H2,1-3H3
InChIKeyDJQULQXOZQDEBV-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane

1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane (PubChem CID 13445095) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
PubChem CID13445095
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane
SMILESCOCCOCCOCC(C)C
InChIInChI=1S/C9H20O3/c1-9(2)8-12-7-6-11-5-4-10-3/h9H,4-8H2,1-3H3
InChIKeyDJQULQXOZQDEBV-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.32
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 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane (CID 13445095) is 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane is COCCOCCOCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
The InChIKey is DJQULQXOZQDEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-9(2)8-12-7-6-11-5-4-10-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane?
1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane has a molecular weight of 176.26 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 13445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).