2-methoxyethyl acetate

C5H10O3 — CID 8054

IUPAC2-methoxyethyl acetate
SMILESCOCCOC(C)=O
InChIInChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
InChIKeyXLLIQLLCWZCATF-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.20
Rot. Bonds3

About 2-methoxyethyl acetate

2-methoxyethyl acetate (PubChem CID 8054) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-methoxyethyl acetate.

Molecular Properties

Compound Name2-methoxyethyl acetate
PubChem CID8054
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-methoxyethyl acetate
SMILESCOCCOC(C)=O
InChIInChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
InChIKeyXLLIQLLCWZCATF-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyethyl acetate?
The IUPAC name of 2-methoxyethyl acetate (CID 8054) is 2-methoxyethyl acetate.
What is the SMILES notation for 2-methoxyethyl acetate?
The canonical SMILES for 2-methoxyethyl acetate is COCCOC(C)=O.
What is the InChIKey of 2-methoxyethyl acetate?
The InChIKey is XLLIQLLCWZCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3.
What are the key properties of 2-methoxyethyl acetate?
2-methoxyethyl acetate has a molecular weight of 118.13 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl acetate is sourced from PubChem (CID 8054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).