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

C13H28O3 — CID 88620736

IUPAC1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
SMILESCCCCOCCOCCOCCC(C)C
InChIInChI=1S/C13H28O3/c1-4-5-7-14-9-11-16-12-10-15-8-6-13(2)3/h13H,4-12H2,1-3H3
InChIKeyFJJACTGBBKXRDK-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.88
Rot. Bonds12

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

1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane (PubChem CID 88620736) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
PubChem CID88620736
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
SMILESCCCCOCCOCCOCCC(C)C
InChIInChI=1S/C13H28O3/c1-4-5-7-14-9-11-16-12-10-15-8-6-13(2)3/h13H,4-12H2,1-3H3
InChIKeyFJJACTGBBKXRDK-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
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'}

Analyze 1-[2-(2-butoxyethoxy)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

Related Compounds

1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686
1-bromo-4-butoxy-2-methylbutane
CID 66049175
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane (CID 88620736) is 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane is CCCCOCCOCCOCCC(C)C.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane?
The InChIKey is FJJACTGBBKXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-5-7-14-9-11-16-12-10-15-8-6-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane?
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane has a molecular weight of 232.36 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane is sourced from PubChem (CID 88620736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).