dichloromethane;2-ethoxyacetic acid

C5H10Cl2O3 — CID 87359195

IUPACdichloromethane;2-ethoxyacetic acid
SMILESCCOCC(=O)O.ClCCl
InChIInChI=1S/C4H8O3.CH2Cl2/c1-2-7-3-4(5)6;2-1-3/h2-3H2,1H3,(H,5,6);1H2
InChIKeyFZOCVFOBBVZNOB-UHFFFAOYSA-N
MW189.04 g/mol
LogP1.53
Rot. Bonds3

About dichloromethane;2-ethoxyacetic acid

dichloromethane;2-ethoxyacetic acid (PubChem CID 87359195) has the molecular formula C5H10Cl2O3 and a molecular weight of 189.04 g/mol. Its IUPAC name is dichloromethane;2-ethoxyacetic acid.

Molecular Properties

Compound Namedichloromethane;2-ethoxyacetic acid
PubChem CID87359195
Molecular FormulaC5H10Cl2O3
Molecular Weight189.04 g/mol
Exact Mass188.00
IUPAC Namedichloromethane;2-ethoxyacetic acid
SMILESCCOCC(=O)O.ClCCl
InChIInChI=1S/C4H8O3.CH2Cl2/c1-2-7-3-4(5)6;2-1-3/h2-3H2,1H3,(H,5,6);1H2
InChIKeyFZOCVFOBBVZNOB-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyacetic acid
CID 159744705
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
CID 158293749
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
2-ethoxyacetic acid;non-4-ene
CID 175736299
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-ethoxyacetic acid;2-ethylhex-2-enoic acid
CID 173257029

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-ethoxyacetic acid?
The IUPAC name of dichloromethane;2-ethoxyacetic acid (CID 87359195) is dichloromethane;2-ethoxyacetic acid.
What is the SMILES notation for dichloromethane;2-ethoxyacetic acid?
The canonical SMILES for dichloromethane;2-ethoxyacetic acid is CCOCC(=O)O.ClCCl.
What is the InChIKey of dichloromethane;2-ethoxyacetic acid?
The InChIKey is FZOCVFOBBVZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.CH2Cl2/c1-2-7-3-4(5)6;2-1-3/h2-3H2,1H3,(H,5,6);1H2.
What are the key properties of dichloromethane;2-ethoxyacetic acid?
dichloromethane;2-ethoxyacetic acid has a molecular weight of 189.04 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-ethoxyacetic acid is sourced from PubChem (CID 87359195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).