2-ethylpentanoic acid

C14H28O4 — CID 158993232

IUPAC2-ethylpentanoic acid
SMILESCCCC(CC)C(=O)O.CCCC(CC)C(=O)O
InChIInChI=1S/2C7H14O2/c2*1-3-5-6(4-2)7(8)9/h2*6H,3-5H2,1-2H3,(H,8,9)
InChIKeyJQKQMEWZRRZVIS-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.79
Rot. Bonds8

About 2-ethylpentanoic acid

2-ethylpentanoic acid (PubChem CID 158993232) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-ethylpentanoic acid.

Molecular Properties

Compound Name2-ethylpentanoic acid
PubChem CID158993232
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-ethylpentanoic acid
SMILESCCCC(CC)C(=O)O.CCCC(CC)C(=O)O
InChIInChI=1S/2C7H14O2/c2*1-3-5-6(4-2)7(8)9/h2*6H,3-5H2,1-2H3,(H,8,9)
InChIKeyJQKQMEWZRRZVIS-UHFFFAOYSA-N
XLogP3.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylpentanoic acid
CID 30020
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-ethylpentanoic acid;2-hydroxyacetic acid
CID 87121623
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentanoic acid?
The IUPAC name of 2-ethylpentanoic acid (CID 158993232) is 2-ethylpentanoic acid.
What is the SMILES notation for 2-ethylpentanoic acid?
The canonical SMILES for 2-ethylpentanoic acid is CCCC(CC)C(=O)O.CCCC(CC)C(=O)O.
What is the InChIKey of 2-ethylpentanoic acid?
The InChIKey is JQKQMEWZRRZVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O2/c2*1-3-5-6(4-2)7(8)9/h2*6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-ethylpentanoic acid?
2-ethylpentanoic acid has a molecular weight of 260.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentanoic acid is sourced from PubChem (CID 158993232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).