2,2-diethyl-3-methyl-3-phenylbutanoic acid

C15H22O2 — CID 68577866

IUPAC2,2-diethyl-3-methyl-3-phenylbutanoic acid
SMILESCCC(CC)(C(=O)O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-5-15(6-2,13(16)17)14(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,17)
InChIKeyUQQFHALSYZBFDH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.86
Rot. Bonds5

About 2,2-diethyl-3-methyl-3-phenylbutanoic acid

2,2-diethyl-3-methyl-3-phenylbutanoic acid (PubChem CID 68577866) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-diethyl-3-methyl-3-phenylbutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-3-methyl-3-phenylbutanoic acid
PubChem CID68577866
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-diethyl-3-methyl-3-phenylbutanoic acid
SMILESCCC(CC)(C(=O)O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-5-15(6-2,13(16)17)14(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,17)
InChIKeyUQQFHALSYZBFDH-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyano-3,3-diethyl-2-phenylbutanedioic acid
CID 54145473
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
methyl 2-methyl-2-phenylbutanoate
CID 562613
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
2-methyl-2-phenylbutanethioic S-acid
CID 87854025
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
2-ethyl-2-(ethylsulfonylamino)-3-methyl-3-phenylbutanamide
CID 66611834
2-benzyl-3,3-diethyl-2-sulfobutanedioic acid
CID 171481396

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-methyl-3-phenylbutanoic acid?
The IUPAC name of 2,2-diethyl-3-methyl-3-phenylbutanoic acid (CID 68577866) is 2,2-diethyl-3-methyl-3-phenylbutanoic acid.
What is the SMILES notation for 2,2-diethyl-3-methyl-3-phenylbutanoic acid?
The canonical SMILES for 2,2-diethyl-3-methyl-3-phenylbutanoic acid is CCC(CC)(C(=O)O)C(C)(C)c1ccccc1.
What is the InChIKey of 2,2-diethyl-3-methyl-3-phenylbutanoic acid?
The InChIKey is UQQFHALSYZBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-15(6-2,13(16)17)14(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2,2-diethyl-3-methyl-3-phenylbutanoic acid?
2,2-diethyl-3-methyl-3-phenylbutanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-methyl-3-phenylbutanoic acid is sourced from PubChem (CID 68577866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).