3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid

C10H20O3 — CID 89019096

IUPAC3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid
SMILESCC(C)(C)COCC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-9(2,3)6-13-7-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyUORIKYOKYDJLQT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.16
Rot. Bonds4

About 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid

3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid (PubChem CID 89019096) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid
PubChem CID89019096
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid
SMILESCC(C)(C)COCC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-9(2,3)6-13-7-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyUORIKYOKYDJLQT-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2-methyl-2-sulfamoylpropoxy)propanoic acid
CID 89019194
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid
CID 88690128
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
CID 58571431
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
CID 79622869
3-butanoyloxy-2,2-dimethylpropanoic acid
CID 54315493
2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166167995
1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol
CID 173433079
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid (CID 89019096) is 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid is CC(C)(C)COCC(C)(C)C(=O)O.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid?
The InChIKey is UORIKYOKYDJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,3)6-13-7-10(4,5)8(11)12/h6-7H2,1-5H3,(H,11,12).
What are the key properties of 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid?
3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 89019096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).