1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane

C13H28O3 — CID 59128190

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

About 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane

1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane (PubChem CID 59128190) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
PubChem CID59128190
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
SMILESCCCCC(C)COCCOCCOCC
InChIInChI=1S/C13H28O3/c1-4-6-7-13(3)12-16-11-10-15-9-8-14-5-2/h13H,4-12H2,1-3H3
InChIKeyUHBHIDSJXKYROF-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'}

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Related Compounds

3-(2-methylhexoxy)propan-1-ol
CID 134975986
1,4-diethoxy-2-methylbutane
CID 59899860
7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol
CID 89363251
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-thiol
CID 104568101
2-methylhexyl 3-ethoxypropanoate
CID 134561556
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
ethoxyethane;1-(2-methylbutoxy)tetracosane
CID 166757399
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane (CID 59128190) is 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane is CCCCC(C)COCCOCCOCC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane?
The InChIKey is UHBHIDSJXKYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-6-7-13(3)12-16-11-10-15-9-8-14-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane?
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane 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-ethoxyethoxy)ethoxy]-2-methylhexane is sourced from PubChem (CID 59128190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).