cycloheptanecarboxylic acid

C8H14O2 — CID 15091

IUPACcycloheptanecarboxylic acid
SMILESO=C(O)C1CCCCCC1
InChIInChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKeyVZFUCHSFHOYXIS-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.04
Rot. Bonds1

About cycloheptanecarboxylic acid

cycloheptanecarboxylic acid (PubChem CID 15091) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cycloheptanecarboxylic acid.

Molecular Properties

Compound Namecycloheptanecarboxylic acid
PubChem CID15091
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecycloheptanecarboxylic acid
SMILESO=C(O)C1CCCCCC1
InChIInChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKeyVZFUCHSFHOYXIS-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cycloheptanecarboxylic 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 cycloheptanecarboxylic acid?
The IUPAC name of cycloheptanecarboxylic acid (CID 15091) is cycloheptanecarboxylic acid.
What is the SMILES notation for cycloheptanecarboxylic acid?
The canonical SMILES for cycloheptanecarboxylic acid is O=C(O)C1CCCCCC1.
What is the InChIKey of cycloheptanecarboxylic acid?
The InChIKey is VZFUCHSFHOYXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10).
What are the key properties of cycloheptanecarboxylic acid?
cycloheptanecarboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanecarboxylic acid is sourced from PubChem (CID 15091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).