2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol

C12H26O5 — CID 122516428

IUPAC2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
SMILESCCOCCOCCOC(CC)COCCO
InChIInChI=1S/C12H26O5/c1-3-12(11-16-6-5-13)17-10-9-15-8-7-14-4-2/h12-13H,3-11H2,1-2H3
InChIKeyQETSUIRHGUHSBC-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.84
Rot. Bonds13

About 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol

2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol (PubChem CID 122516428) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
PubChem CID122516428
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
SMILESCCOCCOCCOC(CC)COCCO
InChIInChI=1S/C12H26O5/c1-3-12(11-16-6-5-13)17-10-9-15-8-7-14-4-2/h12-13H,3-11H2,1-2H3
InChIKeyQETSUIRHGUHSBC-UHFFFAOYSA-N
XLogP0.84
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
1-[2-(2-hydroxyethoxy)ethoxy]butan-2-yloxyboronic acid
CID 18539415
2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol
CID 59567842
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol (CID 122516428) is 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol is CCOCCOCCOC(CC)COCCO.
What is the InChIKey of 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol?
The InChIKey is QETSUIRHGUHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5/c1-3-12(11-16-6-5-13)17-10-9-15-8-7-14-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol?
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol has a molecular weight of 250.33 g/mol, XLogP of 0.84, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol is sourced from PubChem (CID 122516428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).