butanoic acid;2-methylpropanoic acid

C8H16O4 — CID 87150327

IUPACbutanoic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2/c1-3(2)4(5)6;1-2-3-4(5)6/h3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6)
InChIKeyRFBZVIDYTKNASZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.60
Rot. Bonds3

About butanoic acid;2-methylpropanoic acid

butanoic acid;2-methylpropanoic acid (PubChem CID 87150327) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is butanoic acid;2-methylpropanoic acid.

Molecular Properties

Compound Namebutanoic acid;2-methylpropanoic acid
PubChem CID87150327
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namebutanoic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2/c1-3(2)4(5)6;1-2-3-4(5)6/h3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6)
InChIKeyRFBZVIDYTKNASZ-UHFFFAOYSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;butanoic acid
CID 175057491
azane;butanoic acid
CID 173280540
acetic acid;azane;butanoic acid;2-hydroxypropanoic acid
CID 172838065
butanoic acid;2-methylpropanoyl chloride
CID 158101485
azane;butanoic acid;methanol;hydrate
CID 173179721
CID 87208956
CID 87208956
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;mercury
CID 87059277

Frequently Asked Questions

What is the IUPAC name of butanoic acid;2-methylpropanoic acid?
The IUPAC name of butanoic acid;2-methylpropanoic acid (CID 87150327) is butanoic acid;2-methylpropanoic acid.
What is the SMILES notation for butanoic acid;2-methylpropanoic acid?
The canonical SMILES for butanoic acid;2-methylpropanoic acid is CC(C)C(=O)O.CCCC(=O)O.
What is the InChIKey of butanoic acid;2-methylpropanoic acid?
The InChIKey is RFBZVIDYTKNASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2/c1-3(2)4(5)6;1-2-3-4(5)6/h3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;2-methylpropanoic acid?
butanoic acid;2-methylpropanoic acid has a molecular weight of 176.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;2-methylpropanoic acid is sourced from PubChem (CID 87150327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).