1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane

C10H22O3 — CID 20679211

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane
SMILESCOCCOCCOCCC(C)C
InChIInChI=1S/C10H22O3/c1-10(2)4-5-12-8-9-13-7-6-11-3/h10H,4-9H2,1-3H3
InChIKeyIYYGXMZBYHGEFN-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.71
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane

1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane (PubChem CID 20679211) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane
PubChem CID20679211
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane
SMILESCOCCOCCOCCC(C)C
InChIInChI=1S/C10H22O3/c1-10(2)4-5-12-8-9-13-7-6-11-3/h10H,4-9H2,1-3H3
InChIKeyIYYGXMZBYHGEFN-UHFFFAOYSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane 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-(2-methoxyethoxy)ethoxy]-3-methylbutane?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane (CID 20679211) is 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane is COCCOCCOCCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane?
The InChIKey is IYYGXMZBYHGEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-10(2)4-5-12-8-9-13-7-6-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane?
1-[2-(2-methoxyethoxy)ethoxy]-3-methylbutane has a molecular weight of 190.28 g/mol, XLogP of 1.71, 9 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]-3-methylbutane is sourced from PubChem (CID 20679211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).