2,2-dimethylbutanoic acid

C6H12O2 — CID 11684

IUPAC2,2-dimethylbutanoic acid
SMILESCCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyVUAXHMVRKOTJKP-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.51
Rot. Bonds2

About 2,2-dimethylbutanoic acid

2,2-dimethylbutanoic acid (PubChem CID 11684) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name2,2-dimethylbutanoic acid
PubChem CID11684
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2,2-dimethylbutanoic acid
SMILESCCC(C)(C)C(=O)O
InChIInChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyVUAXHMVRKOTJKP-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanoic acid?
The IUPAC name of 2,2-dimethylbutanoic acid (CID 11684) is 2,2-dimethylbutanoic acid.
What is the SMILES notation for 2,2-dimethylbutanoic acid?
The canonical SMILES for 2,2-dimethylbutanoic acid is CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylbutanoic acid?
The InChIKey is VUAXHMVRKOTJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8).
What are the key properties of 2,2-dimethylbutanoic acid?
2,2-dimethylbutanoic acid has a molecular weight of 116.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanoic acid is sourced from PubChem (CID 11684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).