4,4-dimethylpentanoic acid

C7H14O2 — CID 14237

IUPAC4,4-dimethylpentanoic acid
SMILESCC(C)(C)CCC(=O)O
InChIInChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyHMMSZUQCCUWXRA-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds2

About 4,4-dimethylpentanoic acid

4,4-dimethylpentanoic acid (PubChem CID 14237) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name4,4-dimethylpentanoic acid
PubChem CID14237
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4,4-dimethylpentanoic acid
SMILESCC(C)(C)CCC(=O)O
InChIInChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyHMMSZUQCCUWXRA-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

Isocaproic acid
CID 12587
2-Methylvaleric acid
CID 7341
3-Methylpentanoic acid
CID 7755
tert-Butylacetic acid
CID 14057
2,2-Dimethylpentanoic acid
CID 14455
2,2-Dimethylbutanoic acid
CID 11684
3,3-Dimethylcyclobutanecarboxylic acid
CID 215106
2,2-Dimethylglutaric acid
CID 12681
2-Ethyl-2-methylbutyric acid
CID 29846
2-Ethylpentanoic acid
CID 30020
2-Ethyl-2-methylpentanoic acid
CID 95300
3,4-Dimethylpentanoic acid
CID 226113

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentanoic acid?
The IUPAC name of 4,4-dimethylpentanoic acid (CID 14237) is 4,4-dimethylpentanoic acid.
What is the SMILES notation for 4,4-dimethylpentanoic acid?
The canonical SMILES for 4,4-dimethylpentanoic acid is CC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethylpentanoic acid?
The InChIKey is HMMSZUQCCUWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 4,4-dimethylpentanoic acid?
4,4-dimethylpentanoic acid has a molecular weight of 130.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentanoic acid is sourced from PubChem (CID 14237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).