2-[2-(2-ethylhexoxy)propoxy]ethanol

C13H28O3 — CID 87670880

IUPAC2-[2-(2-ethylhexoxy)propoxy]ethanol
SMILESCCCCC(CC)COC(C)COCCO
InChIInChI=1S/C13H28O3/c1-4-6-7-13(5-2)11-16-12(3)10-15-9-8-14/h12-14H,4-11H2,1-3H3
InChIKeyPEJKBTGSOMDVEK-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.62
Rot. Bonds11

About 2-[2-(2-ethylhexoxy)propoxy]ethanol

2-[2-(2-ethylhexoxy)propoxy]ethanol (PubChem CID 87670880) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[2-(2-ethylhexoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethylhexoxy)propoxy]ethanol
PubChem CID87670880
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-[2-(2-ethylhexoxy)propoxy]ethanol
SMILESCCCCC(CC)COC(C)COCCO
InChIInChI=1S/C13H28O3/c1-4-6-7-13(5-2)11-16-12(3)10-15-9-8-14/h12-14H,4-11H2,1-3H3
InChIKeyPEJKBTGSOMDVEK-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethylhexyloxy)ethanol
CID 15260
3-((2-Ethylhexyl)oxy)-1,2-propanediol
CID 9859093
Poly(oxy-1,2-ethanediyl), alpha-(3,5-dimethyl-1-(2-methylpropyl)hexyl)-omega-hydroxy-
CID 24982
Ethanol, 2-[2-[(2-ethylhexyl)oxy]ethoxy]-
CID 94210
Isolaureth-3
CID 87268923
2-(8-Methylnonoxy)ethanol
CID 94600
Triethylene glycol 2-ethylhexyl ether
CID 102646
2-Ethyl-3-propyl-2-oxiranemethanol
CID 6551
2-(2,4,6-Trimethylnonan-4-yloxy)ethanol
CID 92036233
Poly(oxy-1,2-ethanediyl), alpha-(2-propylheptyl)-omega-hydroxy-
CID 57591608
1,4-Anhydro-2,5-dideoxy-1-ethyl-1-methylpentitol
CID 34717
1,4-Anhydro-2,5-dideoxy-1,1-diethylpentitol
CID 23195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylhexoxy)propoxy]ethanol?
The IUPAC name of 2-[2-(2-ethylhexoxy)propoxy]ethanol (CID 87670880) is 2-[2-(2-ethylhexoxy)propoxy]ethanol.
What is the SMILES notation for 2-[2-(2-ethylhexoxy)propoxy]ethanol?
The canonical SMILES for 2-[2-(2-ethylhexoxy)propoxy]ethanol is CCCCC(CC)COC(C)COCCO.
What is the InChIKey of 2-[2-(2-ethylhexoxy)propoxy]ethanol?
The InChIKey is PEJKBTGSOMDVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-6-7-13(5-2)11-16-12(3)10-15-9-8-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[2-(2-ethylhexoxy)propoxy]ethanol?
2-[2-(2-ethylhexoxy)propoxy]ethanol has a molecular weight of 232.36 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylhexoxy)propoxy]ethanol is sourced from PubChem (CID 87670880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).