argon;3-methylbutanoic acid

C5H10ArO2 — CID 158006921

IUPACargon;3-methylbutanoic acid
SMILESCC(C)CC(=O)O.[Ar]
InChIInChI=1S/C5H10O2.Ar/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyFEKCHHLQUNCWNI-UHFFFAOYSA-N
MW142.08 g/mol
LogP1.12
Rot. Bonds2

About argon;3-methylbutanoic acid

argon;3-methylbutanoic acid (PubChem CID 158006921) has the molecular formula C5H10ArO2 and a molecular weight of 142.08 g/mol. Its IUPAC name is argon;3-methylbutanoic acid.

Molecular Properties

Compound Nameargon;3-methylbutanoic acid
PubChem CID158006921
Molecular FormulaC5H10ArO2
Molecular Weight142.08 g/mol
Exact Mass142.03
IUPAC Nameargon;3-methylbutanoic acid
SMILESCC(C)CC(=O)O.[Ar]
InChIInChI=1S/C5H10O2.Ar/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);
InChIKeyFEKCHHLQUNCWNI-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylbutanoic acid
CID 20849036
CID 87948469
CID 87948469
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3-methylbutanoic acid;pentanoic acid
CID 87150377
bis(butane-1-thiol);bis(3-methylbutanoic acid)
CID 174258141
4,4-dimethylpentanoic acid;3-methylbutanoic acid
CID 175566732
(E)-3,5-dimethylhex-3-en-2-one;methane;3-methylbutanoic acid
CID 161004203
3,3-di(propan-2-yloxy)propanoic acid
CID 87167020
strontium;hydride;3-methylpentanedioic acid
CID 173490798
CID 90459779
CID 90459779
acetic acid;2,6-dimethylheptan-4-one
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Frequently Asked Questions

What is the IUPAC name of argon;3-methylbutanoic acid?
The IUPAC name of argon;3-methylbutanoic acid (CID 158006921) is argon;3-methylbutanoic acid.
What is the SMILES notation for argon;3-methylbutanoic acid?
The canonical SMILES for argon;3-methylbutanoic acid is CC(C)CC(=O)O.[Ar].
What is the InChIKey of argon;3-methylbutanoic acid?
The InChIKey is FEKCHHLQUNCWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Ar/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);.
What are the key properties of argon;3-methylbutanoic acid?
argon;3-methylbutanoic acid has a molecular weight of 142.08 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for argon;3-methylbutanoic acid is sourced from PubChem (CID 158006921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).