2,2-dimethylpentanoic acid

C7H14O2 — CID 14455

IUPAC2,2-dimethylpentanoic acid
SMILESCCCC(C)(C)C(=O)O
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyZRYCZAWRXHAAPZ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds3

About 2,2-dimethylpentanoic acid

2,2-dimethylpentanoic acid (PubChem CID 14455) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name2,2-dimethylpentanoic acid
PubChem CID14455
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,2-dimethylpentanoic acid
SMILESCCCC(C)(C)C(=O)O
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyZRYCZAWRXHAAPZ-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentanoic acid?
The IUPAC name of 2,2-dimethylpentanoic acid (CID 14455) is 2,2-dimethylpentanoic acid.
What is the SMILES notation for 2,2-dimethylpentanoic acid?
The canonical SMILES for 2,2-dimethylpentanoic acid is CCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylpentanoic acid?
The InChIKey is ZRYCZAWRXHAAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 2,2-dimethylpentanoic acid?
2,2-dimethylpentanoic acid has a molecular weight of 130.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentanoic acid is sourced from PubChem (CID 14455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).