2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid

C11H18O3 — CID 23557466

IUPAC2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)C(=O)C1CC(C(=O)O)C1(C)C
InChIInChI=1S/C11H18O3/c1-6(2)9(12)7-5-8(10(13)14)11(7,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyAVFWMLKFSFHBCI-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.96
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid

2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid (PubChem CID 23557466) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid
PubChem CID23557466
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid
SMILESCC(C)C(=O)C1CC(C(=O)O)C1(C)C
InChIInChI=1S/C11H18O3/c1-6(2)9(12)7-5-8(10(13)14)11(7,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyAVFWMLKFSFHBCI-UHFFFAOYSA-N
XLogP1.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid (CID 23557466) is 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid is CC(C)C(=O)C1CC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid?
The InChIKey is AVFWMLKFSFHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-6(2)9(12)7-5-8(10(13)14)11(7,3)4/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid?
2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropanoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 23557466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).