2-ethylpentanoic acid

C7H14O2 — CID 30020

IUPAC2-ethylpentanoic acid
SMILESCCCC(CC)C(=O)O
InChIInChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyBAZMYXGARXYAEQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds4

About 2-ethylpentanoic acid

2-ethylpentanoic acid (PubChem CID 30020) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethylpentanoic acid.

Molecular Properties

Compound Name2-ethylpentanoic acid
PubChem CID30020
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethylpentanoic acid
SMILESCCCC(CC)C(=O)O
InChIInChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyBAZMYXGARXYAEQ-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

2-ethylpentanoic acid
CID 158993232
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
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentanoic acid?
The IUPAC name of 2-ethylpentanoic acid (CID 30020) 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.
What is the InChIKey of 2-ethylpentanoic acid?
The InChIKey is BAZMYXGARXYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-ethylpentanoic acid?
2-ethylpentanoic acid has a molecular weight of 130.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentanoic acid is sourced from PubChem (CID 30020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).