2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid

C16H24O2 — CID 82131216

IUPAC2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
SMILESCc1cc(C)c(CCCC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-9-12(2)14(13(3)10-11)7-6-8-16(4,5)15(17)18/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyLKTIWZKBBKFNBS-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.05
Rot. Bonds5

About 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid

2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid (PubChem CID 82131216) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
PubChem CID82131216
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
SMILESCc1cc(C)c(CCCC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-9-12(2)14(13(3)10-11)7-6-8-16(4,5)15(17)18/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyLKTIWZKBBKFNBS-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[5-(4-carboxy-4-methylpentyl)-2,4-dimethylphenyl]-2,2-dimethylpentanoic acid
CID 155596494
5-[2-(4,4-dimethylpentyl)-3,5,6-trihydroxyphenyl]-2,2-dimethylpentanoic acid
CID 158913397
7-[2-(7,7-dimethyloctyl)-3,6-dimethylphenyl]-2,2-dimethylheptanoic acid
CID 158756383
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
3-amino-2-methyl-3-oxo-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid
CID 114899950
2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 151766679
7-[2-(5-carboxy-5-methylhexyl)-3,4,6-trihydroxyphenyl]-2,2-dimethylheptanoic acid
CID 155770784
8-[5-(7-carboxy-7-methyloctyl)-2,3,4-trimethylphenyl]-2,2-dimethyloctanoic acid
CID 155596473
8-[3-(7-carboxy-7-methyloctyl)-2,4-dimethylphenyl]-2,2-dimethyloctanoic acid
CID 155596441
5-[4-(4,4-dimethyl-5-oxohexyl)phenyl]-2,2-dimethylpentanoic acid
CID 164595150
2,2-dimethyl-3-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
CID 116853026
2-(3-hydroperoxy-3-methylbutyl)-1,3,5-trimethylbenzene
CID 15582073

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid (CID 82131216) is 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid is Cc1cc(C)c(CCCC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid?
The InChIKey is LKTIWZKBBKFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-9-12(2)14(13(3)10-11)7-6-8-16(4,5)15(17)18/h9-10H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid?
2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid is sourced from PubChem (CID 82131216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).