3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid

C16H22O3 — CID 24727227

IUPAC3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(=O)CC(C)CC(=O)O)c1C
InChIInChI=1S/C16H22O3/c1-9(7-15(18)19)6-14(17)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,18,19)
InChIKeyAFWWWMYRYICETD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.60
Rot. Bonds5

About 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid

3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid (PubChem CID 24727227) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
PubChem CID24727227
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(=O)CC(C)CC(=O)O)c1C
InChIInChI=1S/C16H22O3/c1-9(7-15(18)19)6-14(17)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,18,19)
InChIKeyAFWWWMYRYICETD-UHFFFAOYSA-N
XLogP3.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 24727249
3-amino-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116915587
5-(3,5-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 2758615
3-methyl-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115219701
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
5-(3-chloro-2-methylphenyl)-3-methyl-5-oxopentanoic acid
CID 146004305
2-methyl-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116918196
3-oxo-3-(2,3,5,6-tetramethylphenyl)propanal
CID 82469980
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
3,5-dimethyl-1,7-bis(2,4,6-trihydroxy-3-methylphenyl)heptane-1,7-dione
CID 90472804
3-(2-hydroxyethylamino)-4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 82322789

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid (CID 24727227) is 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid is Cc1cc(C)c(C)c(C(=O)CC(C)CC(=O)O)c1C.
What is the InChIKey of 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The InChIKey is AFWWWMYRYICETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-9(7-15(18)19)6-14(17)16-12(4)10(2)8-11(3)13(16)5/h8-9H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanoic acid is sourced from PubChem (CID 24727227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).