2-(2-ethoxypropan-2-yloxy)acetic acid

C7H14O4 — CID 89112124

IUPAC2-(2-ethoxypropan-2-yloxy)acetic acid
SMILESCCOC(C)(C)OCC(=O)O
InChIInChI=1S/C7H14O4/c1-4-10-7(2,3)11-5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyXNNXOSFJPFIQHY-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.86
Rot. Bonds5

About 2-(2-ethoxypropan-2-yloxy)acetic acid

2-(2-ethoxypropan-2-yloxy)acetic acid (PubChem CID 89112124) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yloxy)acetic acid
PubChem CID89112124
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(2-ethoxypropan-2-yloxy)acetic acid
SMILESCCOC(C)(C)OCC(=O)O
InChIInChI=1S/C7H14O4/c1-4-10-7(2,3)11-5-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyXNNXOSFJPFIQHY-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxypropan-2-yloxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxyacetic acid
CID 159744705
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-ethoxypropan-2-yl acetate
CID 19889183
acetic acid;1,1,1-triethoxyethane
CID 90101940
2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid
CID 177186072
1,3-diethoxy-3-methylbutan-2-one
CID 116710340
dichloromethane;2-ethoxyacetic acid
CID 87359195
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
CID 158293749
5,5-diethoxy-3-oxohexanoic acid
CID 175246383
5,5-diethoxyhexanoic acid
CID 174569404

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yloxy)acetic acid?
The IUPAC name of 2-(2-ethoxypropan-2-yloxy)acetic acid (CID 89112124) is 2-(2-ethoxypropan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(2-ethoxypropan-2-yloxy)acetic acid?
The canonical SMILES for 2-(2-ethoxypropan-2-yloxy)acetic acid is CCOC(C)(C)OCC(=O)O.
What is the InChIKey of 2-(2-ethoxypropan-2-yloxy)acetic acid?
The InChIKey is XNNXOSFJPFIQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-10-7(2,3)11-5-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-(2-ethoxypropan-2-yloxy)acetic acid?
2-(2-ethoxypropan-2-yloxy)acetic acid has a molecular weight of 162.18 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yloxy)acetic acid is sourced from PubChem (CID 89112124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).