cyclohexanecarboxylic acid

C7H12O2 — CID 11286469

IUPACcyclohexanecarboxylic acid
SMILESO=[11C](O)C1CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)/i7-1
InChIKeyNZNMSOFKMUBTKW-JZRMKITLSA-N
MW127.17 g/mol
LogP1.65
Rot. Bonds1

About cyclohexanecarboxylic acid

cyclohexanecarboxylic acid (PubChem CID 11286469) has the molecular formula C7H12O2 and a molecular weight of 127.17 g/mol. Its IUPAC name is cyclohexanecarboxylic acid.

Molecular Properties

Compound Namecyclohexanecarboxylic acid
PubChem CID11286469
Molecular FormulaC7H12O2
Molecular Weight127.17 g/mol
Exact Mass127.10
IUPAC Namecyclohexanecarboxylic acid
SMILESO=[11C](O)C1CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)/i7-1
InChIKeyNZNMSOFKMUBTKW-JZRMKITLSA-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 ≤ 500127.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
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?
The IUPAC name of cyclohexanecarboxylic acid (CID 11286469) is cyclohexanecarboxylic acid.
What is the SMILES notation for cyclohexanecarboxylic acid?
The canonical SMILES for cyclohexanecarboxylic acid is O=[11C](O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid?
The InChIKey is NZNMSOFKMUBTKW-JZRMKITLSA-N. The full InChI is InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)/i7-1.
What are the key properties of cyclohexanecarboxylic acid?
cyclohexanecarboxylic acid has a molecular weight of 127.17 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 11286469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).