1-(2-methoxyethoxy)ethanol

C5H12O3 — CID 14367673

IUPAC1-(2-methoxyethoxy)ethanol
SMILESCOCCOC(C)O
InChIInChI=1S/C5H12O3/c1-5(6)8-4-3-7-2/h5-6H,3-4H2,1-2H3
InChIKeySXYRTDICSOVQNZ-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.01
Rot. Bonds4

About 1-(2-methoxyethoxy)ethanol

1-(2-methoxyethoxy)ethanol (PubChem CID 14367673) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)ethanol
PubChem CID14367673
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name1-(2-methoxyethoxy)ethanol
SMILESCOCCOC(C)O
InChIInChI=1S/C5H12O3/c1-5(6)8-4-3-7-2/h5-6H,3-4H2,1-2H3
InChIKeySXYRTDICSOVQNZ-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.01
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-methoxyethoxy)ethanol?
The IUPAC name of 1-(2-methoxyethoxy)ethanol (CID 14367673) is 1-(2-methoxyethoxy)ethanol.
What is the SMILES notation for 1-(2-methoxyethoxy)ethanol?
The canonical SMILES for 1-(2-methoxyethoxy)ethanol is COCCOC(C)O.
What is the InChIKey of 1-(2-methoxyethoxy)ethanol?
The InChIKey is SXYRTDICSOVQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3/c1-5(6)8-4-3-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)ethanol?
1-(2-methoxyethoxy)ethanol has a molecular weight of 120.15 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)ethanol is sourced from PubChem (CID 14367673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).