1-(2-ethoxyethoxy)ethanol

C6H14O3 — CID 14367674

IUPAC1-(2-ethoxyethoxy)ethanol
SMILESCCOCCOC(C)O
InChIInChI=1S/C6H14O3/c1-3-8-4-5-9-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyBNHGVULTSGNVIX-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.38
Rot. Bonds5

About 1-(2-ethoxyethoxy)ethanol

1-(2-ethoxyethoxy)ethanol (PubChem CID 14367674) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)ethanol
PubChem CID14367674
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name1-(2-ethoxyethoxy)ethanol
SMILESCCOCCOC(C)O
InChIInChI=1S/C6H14O3/c1-3-8-4-5-9-6(2)7/h6-7H,3-5H2,1-2H3
InChIKeyBNHGVULTSGNVIX-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)ethanol?
The IUPAC name of 1-(2-ethoxyethoxy)ethanol (CID 14367674) is 1-(2-ethoxyethoxy)ethanol.
What is the SMILES notation for 1-(2-ethoxyethoxy)ethanol?
The canonical SMILES for 1-(2-ethoxyethoxy)ethanol is CCOCCOC(C)O.
What is the InChIKey of 1-(2-ethoxyethoxy)ethanol?
The InChIKey is BNHGVULTSGNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-3-8-4-5-9-6(2)7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)ethanol?
1-(2-ethoxyethoxy)ethanol has a molecular weight of 134.18 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)ethanol is sourced from PubChem (CID 14367674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).