2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate

C18H26Cl2O7 — CID 101066319

IUPAC2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
SMILESCOCCOCCOCCOCCOCCOC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H26Cl2O7/c1-22-4-5-23-6-7-24-8-9-25-10-11-26-12-13-27-18(21)16-14-15(19)2-3-17(16)20/h2-3,14H,4-13H2,1H3
InChIKeyYJKNEWQCUGWUSE-UHFFFAOYSA-N
MW425.31 g/mol
LogP2.86
Rot. Bonds16

About 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate (PubChem CID 101066319) has the molecular formula C18H26Cl2O7 and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
PubChem CID101066319
Molecular FormulaC18H26Cl2O7
Molecular Weight425.31 g/mol
Exact Mass424.11
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
SMILESCOCCOCCOCCOCCOCCOC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H26Cl2O7/c1-22-4-5-23-6-7-24-8-9-25-10-11-26-12-13-27-18(21)16-14-15(19)2-3-17(16)20/h2-3,14H,4-13H2,1H3
InChIKeyYJKNEWQCUGWUSE-UHFFFAOYSA-N
XLogP2.86
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
propyl 2,5-dichlorobenzoate
CID 43389536
hexadecyl 2,5-dichlorobenzoate
CID 100931505
2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
CID 150366531
2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521
2-(2-methoxyethoxy)ethyl 2-fluoro-5-sulfanylbenzoate
CID 107019067
2-propoxyethyl 2-chloro-5-sulfanylbenzoate
CID 107018766
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
3-(diethylamino)propyl 2,5-dichlorobenzoate
CID 3027468
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate?
The IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate (CID 101066319) is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate is COCCOCCOCCOCCOCCOC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate?
The InChIKey is YJKNEWQCUGWUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2O7/c1-22-4-5-23-6-7-24-8-9-25-10-11-26-12-13-27-18(21)16-14-15(19)2-3-17(16)20/h2-3,14H,4-13H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate?
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate has a molecular weight of 425.31 g/mol, XLogP of 2.86, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate is sourced from PubChem (CID 101066319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).