2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol

C6H12Cl2O5 — CID 87519110

IUPAC2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)C(Cl)Cl.OCCOCCO
InChIInChI=1S/C4H10O3.C2H2Cl2O2/c5-1-3-7-4-2-6;3-1(4)2(5)6/h5-6H,1-4H2;1H,(H,5,6)
InChIKeyPSQOAFLGWCYGPA-UHFFFAOYSA-N
MW235.06 g/mol
LogP-0.14
Rot. Bonds5

About 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol

2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol (PubChem CID 87519110) has the molecular formula C6H12Cl2O5 and a molecular weight of 235.06 g/mol. Its IUPAC name is 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
PubChem CID87519110
Molecular FormulaC6H12Cl2O5
Molecular Weight235.06 g/mol
Exact Mass234.01
IUPAC Name2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)C(Cl)Cl.OCCOCCO
InChIInChI=1S/C4H10O3.C2H2Cl2O2/c5-1-3-7-4-2-6;3-1(4)2(5)6/h5-6H,1-4H2;1H,(H,5,6)
InChIKeyPSQOAFLGWCYGPA-UHFFFAOYSA-N
XLogP-0.14
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170
chloro acetate;2-(2-hydroxyethoxy)ethanol
CID 170842530

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol (CID 87519110) is 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol is O=C(O)C(Cl)Cl.OCCOCCO.
What is the InChIKey of 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol?
The InChIKey is PSQOAFLGWCYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C2H2Cl2O2/c5-1-3-7-4-2-6;3-1(4)2(5)6/h5-6H,1-4H2;1H,(H,5,6).
What are the key properties of 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol?
2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol has a molecular weight of 235.06 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87519110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).