cyclohex-3-ene-1-carboxylic acid

C7H10O2 — CID 20903

IUPACcyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1
InChIInChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
InChIKeyVUSWCWPCANWBFG-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds1

About cyclohex-3-ene-1-carboxylic acid

cyclohex-3-ene-1-carboxylic acid (PubChem CID 20903) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Namecyclohex-3-ene-1-carboxylic acid
PubChem CID20903
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namecyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1
InChIInChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
InChIKeyVUSWCWPCANWBFG-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of cyclohex-3-ene-1-carboxylic acid (CID 20903) is cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-carboxylic acid?
The InChIKey is VUSWCWPCANWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9).
What are the key properties of cyclohex-3-ene-1-carboxylic acid?
cyclohex-3-ene-1-carboxylic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 20903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).