1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid

C11H18O3 — CID 170443189

IUPAC1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)C1(C(=O)O)CCCC1
InChIInChI=1S/C11H18O3/c1-10(2,3)8(12)11(9(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14)
InChIKeyBATKYTHJTSOUHG-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.25
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid

1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid (PubChem CID 170443189) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
PubChem CID170443189
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)C1(C(=O)O)CCCC1
InChIInChI=1S/C11H18O3/c1-10(2,3)8(12)11(9(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14)
InChIKeyBATKYTHJTSOUHG-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid (CID 170443189) is 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid is CC(C)(C)C(=O)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid?
The InChIKey is BATKYTHJTSOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2,3)8(12)11(9(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid?
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 170443189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).