2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid

C10H18O4 — CID 114621031

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid
SMILESCC1(C)CC(OCC(=O)O)C(C)(C)O1
InChIInChI=1S/C10H18O4/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyVCDZUBKZLMXPPF-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.43
Rot. Bonds3

About 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid

2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid (PubChem CID 114621031) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid
PubChem CID114621031
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid
SMILESCC1(C)CC(OCC(=O)O)C(C)(C)O1
InChIInChI=1S/C10H18O4/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyVCDZUBKZLMXPPF-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,5,5-tetramethyloxolan-3-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-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid (CID 114621031) is 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid is CC1(C)CC(OCC(=O)O)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid?
The InChIKey is VCDZUBKZLMXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2)5-7(10(3,4)14-9)13-6-8(11)12/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid?
2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)oxyacetic acid is sourced from PubChem (CID 114621031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).