methyl 2-(2-chloroethoxy)acetate

C5H9ClO3 — CID 15337474

IUPACmethyl 2-(2-chloroethoxy)acetate
SMILESCOC(=O)COCCCl
InChIInChI=1S/C5H9ClO3/c1-8-5(7)4-9-3-2-6/h2-4H2,1H3
InChIKeyRDFIZBYHUOHTQI-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-(2-chloroethoxy)acetate

methyl 2-(2-chloroethoxy)acetate (PubChem CID 15337474) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is methyl 2-(2-chloroethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloroethoxy)acetate
PubChem CID15337474
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Namemethyl 2-(2-chloroethoxy)acetate
SMILESCOC(=O)COCCCl
InChIInChI=1S/C5H9ClO3/c1-8-5(7)4-9-3-2-6/h2-4H2,1H3
InChIKeyRDFIZBYHUOHTQI-UHFFFAOYSA-N
XLogP0.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-(2-chloroethoxy)acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
methyl 2-(5-hydroxypentoxy)acetate
CID 71343712
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
methyl 2-(propoxymethoxy)acetate
CID 162143030
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroethoxy)acetate?
The IUPAC name of methyl 2-(2-chloroethoxy)acetate (CID 15337474) is methyl 2-(2-chloroethoxy)acetate.
What is the SMILES notation for methyl 2-(2-chloroethoxy)acetate?
The canonical SMILES for methyl 2-(2-chloroethoxy)acetate is COC(=O)COCCCl.
What is the InChIKey of methyl 2-(2-chloroethoxy)acetate?
The InChIKey is RDFIZBYHUOHTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-8-5(7)4-9-3-2-6/h2-4H2,1H3.
What are the key properties of methyl 2-(2-chloroethoxy)acetate?
methyl 2-(2-chloroethoxy)acetate has a molecular weight of 152.58 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroethoxy)acetate is sourced from PubChem (CID 15337474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).