2-ethylpentanoic acid;2-hydroxyacetic acid

C9H18O5 — CID 87121623

IUPAC2-ethylpentanoic acid;2-hydroxyacetic acid
SMILESCCCC(CC)C(=O)O.O=C(O)CO
InChIInChI=1S/C7H14O2.C2H4O3/c1-3-5-6(4-2)7(8)9;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,8,9);3H,1H2,(H,4,5)
InChIKeyLYBWAAUVTUHLCX-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.96
Rot. Bonds5

About 2-ethylpentanoic acid;2-hydroxyacetic acid

2-ethylpentanoic acid;2-hydroxyacetic acid (PubChem CID 87121623) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-ethylpentanoic acid;2-hydroxyacetic acid.

Molecular Properties

Compound Name2-ethylpentanoic acid;2-hydroxyacetic acid
PubChem CID87121623
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-ethylpentanoic acid;2-hydroxyacetic acid
SMILESCCCC(CC)C(=O)O.O=C(O)CO
InChIInChI=1S/C7H14O2.C2H4O3/c1-3-5-6(4-2)7(8)9;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,8,9);3H,1H2,(H,4,5)
InChIKeyLYBWAAUVTUHLCX-UHFFFAOYSA-N
XLogP0.96
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethyl-6-propylheptanedioic acid
CID 154140899
(2S)-2-propylbutanedioic acid
CID 12648185
butan-1-ol;2-ethylhexanoic acid;titanium;trihydrate
CID 87479868
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentanoic acid;2-hydroxyacetic acid?
The IUPAC name of 2-ethylpentanoic acid;2-hydroxyacetic acid (CID 87121623) is 2-ethylpentanoic acid;2-hydroxyacetic acid.
What is the SMILES notation for 2-ethylpentanoic acid;2-hydroxyacetic acid?
The canonical SMILES for 2-ethylpentanoic acid;2-hydroxyacetic acid is CCCC(CC)C(=O)O.O=C(O)CO.
What is the InChIKey of 2-ethylpentanoic acid;2-hydroxyacetic acid?
The InChIKey is LYBWAAUVTUHLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C2H4O3/c1-3-5-6(4-2)7(8)9;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,8,9);3H,1H2,(H,4,5).
What are the key properties of 2-ethylpentanoic acid;2-hydroxyacetic acid?
2-ethylpentanoic acid;2-hydroxyacetic acid has a molecular weight of 206.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentanoic acid;2-hydroxyacetic acid is sourced from PubChem (CID 87121623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).