2-ethylbutanoic acid;2-methylpentanoic acid

C12H24O4 — CID 140982788

IUPAC2-ethylbutanoic acid;2-methylpentanoic acid
SMILESCCC(CC)C(=O)O.CCCC(C)C(=O)O
InChIInChI=1S/2C6H12O2/c1-3-4-5(2)6(7)8;1-3-5(4-2)6(7)8/h2*5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDAFKBZSDAJJWGX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.01
Rot. Bonds6

About 2-ethylbutanoic acid;2-methylpentanoic acid

2-ethylbutanoic acid;2-methylpentanoic acid (PubChem CID 140982788) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethylbutanoic acid;2-methylpentanoic acid.

Molecular Properties

Compound Name2-ethylbutanoic acid;2-methylpentanoic acid
PubChem CID140982788
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-ethylbutanoic acid;2-methylpentanoic acid
SMILESCCC(CC)C(=O)O.CCCC(C)C(=O)O
InChIInChI=1S/2C6H12O2/c1-3-4-5(2)6(7)8;1-3-5(4-2)6(7)8/h2*5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDAFKBZSDAJJWGX-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159174397
CID 159174397
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethyl-6-propylheptanedioic acid
CID 154140899
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
2-ethylhexanoic acid;palladium(2+)
CID 18629949

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanoic acid;2-methylpentanoic acid?
The IUPAC name of 2-ethylbutanoic acid;2-methylpentanoic acid (CID 140982788) is 2-ethylbutanoic acid;2-methylpentanoic acid.
What is the SMILES notation for 2-ethylbutanoic acid;2-methylpentanoic acid?
The canonical SMILES for 2-ethylbutanoic acid;2-methylpentanoic acid is CCC(CC)C(=O)O.CCCC(C)C(=O)O.
What is the InChIKey of 2-ethylbutanoic acid;2-methylpentanoic acid?
The InChIKey is DAFKBZSDAJJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2/c1-3-4-5(2)6(7)8;1-3-5(4-2)6(7)8/h2*5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-ethylbutanoic acid;2-methylpentanoic acid?
2-ethylbutanoic acid;2-methylpentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanoic acid;2-methylpentanoic acid is sourced from PubChem (CID 140982788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).