2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid

C10H18O6 — CID 71367221

IUPAC2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid
SMILESCC(C)(OCC(=O)O)C(C)(C)OCC(=O)O
InChIInChI=1S/C10H18O6/c1-9(2,15-5-7(11)12)10(3,4)16-6-8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBBLBSJIXWZBFQY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds7

About 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid

2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid (PubChem CID 71367221) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid
PubChem CID71367221
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid
SMILESCC(C)(OCC(=O)O)C(C)(C)OCC(=O)O
InChIInChI=1S/C10H18O6/c1-9(2,15-5-7(11)12)10(3,4)16-6-8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBBLBSJIXWZBFQY-UHFFFAOYSA-N
XLogP0.75
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid?
The IUPAC name of 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid (CID 71367221) is 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid?
The canonical SMILES for 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid is CC(C)(OCC(=O)O)C(C)(C)OCC(=O)O.
What is the InChIKey of 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid?
The InChIKey is BBLBSJIXWZBFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-9(2,15-5-7(11)12)10(3,4)16-6-8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid?
2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethoxy)-2,3-dimethylbutan-2-yl]oxyacetic acid is sourced from PubChem (CID 71367221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).