1-(2-ethoxyethoxy)ethyl 2-chloroacetate

C8H15ClO4 — CID 22156367

IUPAC1-(2-ethoxyethoxy)ethyl 2-chloroacetate
SMILESCCOCCOC(C)OC(=O)CCl
InChIInChI=1S/C8H15ClO4/c1-3-11-4-5-12-7(2)13-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQEDIHPCYEWKMIG-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.17
Rot. Bonds7

About 1-(2-ethoxyethoxy)ethyl 2-chloroacetate

1-(2-ethoxyethoxy)ethyl 2-chloroacetate (PubChem CID 22156367) has the molecular formula C8H15ClO4 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)ethyl 2-chloroacetate.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)ethyl 2-chloroacetate
PubChem CID22156367
Molecular FormulaC8H15ClO4
Molecular Weight210.66 g/mol
Exact Mass210.07
IUPAC Name1-(2-ethoxyethoxy)ethyl 2-chloroacetate
SMILESCCOCCOC(C)OC(=O)CCl
InChIInChI=1S/C8H15ClO4/c1-3-11-4-5-12-7(2)13-8(10)6-9/h7H,3-6H2,1-2H3
InChIKeyQEDIHPCYEWKMIG-UHFFFAOYSA-N
XLogP1.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)ethyl acetate
CID 18790900
bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 170637718
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191
3-(2-chloroacetyl)oxy-2-methylidenepentanoic acid
CID 88779410
[(1R,2S)-1-chloro-1-diethoxyphosphorylpropan-2-yl] 2-chloroacetate
CID 11426764

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)ethyl 2-chloroacetate?
The IUPAC name of 1-(2-ethoxyethoxy)ethyl 2-chloroacetate (CID 22156367) is 1-(2-ethoxyethoxy)ethyl 2-chloroacetate.
What is the SMILES notation for 1-(2-ethoxyethoxy)ethyl 2-chloroacetate?
The canonical SMILES for 1-(2-ethoxyethoxy)ethyl 2-chloroacetate is CCOCCOC(C)OC(=O)CCl.
What is the InChIKey of 1-(2-ethoxyethoxy)ethyl 2-chloroacetate?
The InChIKey is QEDIHPCYEWKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO4/c1-3-11-4-5-12-7(2)13-8(10)6-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)ethyl 2-chloroacetate?
1-(2-ethoxyethoxy)ethyl 2-chloroacetate has a molecular weight of 210.66 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)ethyl 2-chloroacetate is sourced from PubChem (CID 22156367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).