cyclohexanecarboxylic acid

C7H12O2 — CID 7413

IUPACcyclohexanecarboxylic acid
SMILESO=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKeyNZNMSOFKMUBTKW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.65
Rot. Bonds1

About cyclohexanecarboxylic acid

cyclohexanecarboxylic acid (PubChem CID 7413) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is cyclohexanecarboxylic acid.

Molecular Properties

Compound Namecyclohexanecarboxylic acid
PubChem CID7413
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namecyclohexanecarboxylic acid
SMILESO=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKeyNZNMSOFKMUBTKW-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cyclohexanecarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid?
The IUPAC name of cyclohexanecarboxylic acid (CID 7413) is cyclohexanecarboxylic acid.
What is the SMILES notation for cyclohexanecarboxylic acid?
The canonical SMILES for cyclohexanecarboxylic acid is O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid?
The InChIKey is NZNMSOFKMUBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid?
cyclohexanecarboxylic acid has a molecular weight of 128.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid is sourced from PubChem (CID 7413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).