2,2-dimethylpropanoic acid

C5H10O2 — CID 6417

IUPAC2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKeyIUGYQRQAERSCNH-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds

About 2,2-dimethylpropanoic acid

2,2-dimethylpropanoic acid (PubChem CID 6417) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid
PubChem CID6417
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKeyIUGYQRQAERSCNH-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid?
The IUPAC name of 2,2-dimethylpropanoic acid (CID 6417) is 2,2-dimethylpropanoic acid.
What is the SMILES notation for 2,2-dimethylpropanoic acid?
The canonical SMILES for 2,2-dimethylpropanoic acid is CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylpropanoic acid?
The InChIKey is IUGYQRQAERSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7).
What are the key properties of 2,2-dimethylpropanoic acid?
2,2-dimethylpropanoic acid has a molecular weight of 102.13 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid is sourced from PubChem (CID 6417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).