3-methoxy-2,2-dimethylpropanoic acid

C6H12O3 — CID 3017506

IUPAC3-methoxy-2,2-dimethylpropanoic acid
SMILESCOCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyFLFLSQGRBROAPA-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds3

About 3-methoxy-2,2-dimethylpropanoic acid

3-methoxy-2,2-dimethylpropanoic acid (PubChem CID 3017506) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylpropanoic acid
PubChem CID3017506
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-methoxy-2,2-dimethylpropanoic acid
SMILESCOCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyFLFLSQGRBROAPA-UHFFFAOYSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylpropanoic acid?
The IUPAC name of 3-methoxy-2,2-dimethylpropanoic acid (CID 3017506) is 3-methoxy-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-methoxy-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-methoxy-2,2-dimethylpropanoic acid is COCC(C)(C)C(=O)O.
What is the InChIKey of 3-methoxy-2,2-dimethylpropanoic acid?
The InChIKey is FLFLSQGRBROAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8).
What are the key properties of 3-methoxy-2,2-dimethylpropanoic acid?
3-methoxy-2,2-dimethylpropanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylpropanoic acid is sourced from PubChem (CID 3017506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).