cyclohexanecarboxylic acid;trihydrochloride

C7H15Cl3O2 — CID 67185988

IUPACcyclohexanecarboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.3ClH/c8-7(9)6-4-2-1-3-5-6;;;/h6H,1-5H2,(H,8,9);3*1H
InChIKeyZWWILNTZQARHGB-UHFFFAOYSA-N
MW237.55 g/mol
LogP2.92
Rot. Bonds1

About cyclohexanecarboxylic acid;trihydrochloride

cyclohexanecarboxylic acid;trihydrochloride (PubChem CID 67185988) has the molecular formula C7H15Cl3O2 and a molecular weight of 237.55 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;trihydrochloride.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;trihydrochloride
PubChem CID67185988
Molecular FormulaC7H15Cl3O2
Molecular Weight237.55 g/mol
Exact Mass236.01
IUPAC Namecyclohexanecarboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.3ClH/c8-7(9)6-4-2-1-3-5-6;;;/h6H,1-5H2,(H,8,9);3*1H
InChIKeyZWWILNTZQARHGB-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cyclohexanecarboxylic acid;trihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclohexanecarboxylic acid;diiminoazanium
CID 174800103
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;trihydrochloride?
The IUPAC name of cyclohexanecarboxylic acid;trihydrochloride (CID 67185988) is cyclohexanecarboxylic acid;trihydrochloride.
What is the SMILES notation for cyclohexanecarboxylic acid;trihydrochloride?
The canonical SMILES for cyclohexanecarboxylic acid;trihydrochloride is Cl.Cl.Cl.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;trihydrochloride?
The InChIKey is ZWWILNTZQARHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.3ClH/c8-7(9)6-4-2-1-3-5-6;;;/h6H,1-5H2,(H,8,9);3*1H.
What are the key properties of cyclohexanecarboxylic acid;trihydrochloride?
cyclohexanecarboxylic acid;trihydrochloride has a molecular weight of 237.55 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;trihydrochloride is sourced from PubChem (CID 67185988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).