1-methoxyethyl acetate

C5H10O3 — CID 537440

IUPAC1-methoxyethyl acetate
SMILESCOC(C)OC(C)=O
InChIInChI=1S/C5H10O3/c1-4(6)8-5(2)7-3/h5H,1-3H3
InChIKeyFMWCKLXINCGQFM-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.54
Rot. Bonds2

About 1-methoxyethyl acetate

1-methoxyethyl acetate (PubChem CID 537440) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-methoxyethyl acetate.

Molecular Properties

Compound Name1-methoxyethyl acetate
PubChem CID537440
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-methoxyethyl acetate
SMILESCOC(C)OC(C)=O
InChIInChI=1S/C5H10O3/c1-4(6)8-5(2)7-3/h5H,1-3H3
InChIKeyFMWCKLXINCGQFM-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxyethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl acetate?
The IUPAC name of 1-methoxyethyl acetate (CID 537440) is 1-methoxyethyl acetate.
What is the SMILES notation for 1-methoxyethyl acetate?
The canonical SMILES for 1-methoxyethyl acetate is COC(C)OC(C)=O.
What is the InChIKey of 1-methoxyethyl acetate?
The InChIKey is FMWCKLXINCGQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(6)8-5(2)7-3/h5H,1-3H3.
What are the key properties of 1-methoxyethyl acetate?
1-methoxyethyl acetate has a molecular weight of 118.13 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl acetate is sourced from PubChem (CID 537440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).