2-(2-chloroethoxy)-2-methylpropanoic acid

C6H11ClO3 — CID 83226032

IUPAC2-(2-chloroethoxy)-2-methylpropanoic acid
SMILESCC(C)(OCCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-6(2,5(8)9)10-4-3-7/h3-4H2,1-2H3,(H,8,9)
InChIKeyCKWWYRURKRTXQT-UHFFFAOYSA-N
MW166.60 g/mol
LogP1.11
Rot. Bonds4

About 2-(2-chloroethoxy)-2-methylpropanoic acid

2-(2-chloroethoxy)-2-methylpropanoic acid (PubChem CID 83226032) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-chloroethoxy)-2-methylpropanoic acid
PubChem CID83226032
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name2-(2-chloroethoxy)-2-methylpropanoic acid
SMILESCC(C)(OCCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-6(2,5(8)9)10-4-3-7/h3-4H2,1-2H3,(H,8,9)
InChIKeyCKWWYRURKRTXQT-UHFFFAOYSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(2-chloroethoxy)-2-methylpropanoic acid (CID 83226032) is 2-(2-chloroethoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-chloroethoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-chloroethoxy)-2-methylpropanoic acid is CC(C)(OCCCl)C(=O)O.
What is the InChIKey of 2-(2-chloroethoxy)-2-methylpropanoic acid?
The InChIKey is CKWWYRURKRTXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-6(2,5(8)9)10-4-3-7/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-chloroethoxy)-2-methylpropanoic acid?
2-(2-chloroethoxy)-2-methylpropanoic acid has a molecular weight of 166.60 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-2-methylpropanoic acid is sourced from PubChem (CID 83226032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).