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2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid

C15H20O2 — CID 82159024

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C2C(C(=O)O)C2(C)C)c(C)c1
InChIInChI=1S/C15H20O2/c1-8-6-9(2)11(10(3)7-8)12-13(14(16)17)15(12,4)5/h6-7,12-13H,1-5H3,(H,16,17)
InChIKeyUPJOVWQALQAQIJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.44
Rot. Bonds2

About 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82159024) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID82159024
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C2C(C(=O)O)C2(C)C)c(C)c1
InChIInChI=1S/C15H20O2/c1-8-6-9(2)11(10(3)7-8)12-13(14(16)17)15(12,4)5/h6-7,12-13H,1-5H3,(H,16,17)
InChIKeyUPJOVWQALQAQIJ-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid (CID 82159024) is 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(C)c(C2C(C(=O)O)C2(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is UPJOVWQALQAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-8-6-9(2)11(10(3)7-8)12-13(14(16)17)15(12,4)5/h6-7,12-13H,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82159024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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