2-(2-ethylhexoxy)ethanol

C10H22O2 — CID 15260

IUPAC2-(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COCCO
InChIInChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOHJYHAOODFPJOD-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds8

About 2-(2-ethylhexoxy)ethanol

2-(2-ethylhexoxy)ethanol (PubChem CID 15260) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)ethanol.

Molecular Properties

Compound Name2-(2-ethylhexoxy)ethanol
PubChem CID15260
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COCCO
InChIInChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOHJYHAOODFPJOD-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2-ethylhexoxy)ethanol?
The IUPAC name of 2-(2-ethylhexoxy)ethanol (CID 15260) is 2-(2-ethylhexoxy)ethanol.
What is the SMILES notation for 2-(2-ethylhexoxy)ethanol?
The canonical SMILES for 2-(2-ethylhexoxy)ethanol is CCCCC(CC)COCCO.
What is the InChIKey of 2-(2-ethylhexoxy)ethanol?
The InChIKey is OHJYHAOODFPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)ethanol?
2-(2-ethylhexoxy)ethanol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)ethanol is sourced from PubChem (CID 15260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).