2-ethoxyethanol

C4H10O2 — CID 8076

IUPAC2-ethoxyethanol
SMILESCCOCCO
InChIInChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKeyZNQVEEAIQZEUHB-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.02
Rot. Bonds3

About 2-ethoxyethanol

2-ethoxyethanol (PubChem CID 8076) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 2-ethoxyethanol.

Molecular Properties

Compound Name2-ethoxyethanol
PubChem CID8076
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name2-ethoxyethanol
SMILESCCOCCO
InChIInChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKeyZNQVEEAIQZEUHB-UHFFFAOYSA-N
XLogP0.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.02
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-ethoxyethanol?
The IUPAC name of 2-ethoxyethanol (CID 8076) is 2-ethoxyethanol.
What is the SMILES notation for 2-ethoxyethanol?
The canonical SMILES for 2-ethoxyethanol is CCOCCO.
What is the InChIKey of 2-ethoxyethanol?
The InChIKey is ZNQVEEAIQZEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol?
2-ethoxyethanol has a molecular weight of 90.12 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol is sourced from PubChem (CID 8076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).