cyclohex-2-en-1-ylboronic acid

C6H11BO2 — CID 59089933

IUPACcyclohex-2-en-1-ylboronic acid
SMILESOB(O)C1C=CCCC1
InChIInChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h2,4,6,8-9H,1,3,5H2
InChIKeySBPKTFVHSXSFMD-UHFFFAOYSA-N
MW125.96 g/mol
LogP0.57
Rot. Bonds1

About cyclohex-2-en-1-ylboronic acid

cyclohex-2-en-1-ylboronic acid (PubChem CID 59089933) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol. Its IUPAC name is cyclohex-2-en-1-ylboronic acid.

Molecular Properties

Compound Namecyclohex-2-en-1-ylboronic acid
PubChem CID59089933
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Namecyclohex-2-en-1-ylboronic acid
SMILESOB(O)C1C=CCCC1
InChIInChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h2,4,6,8-9H,1,3,5H2
InChIKeySBPKTFVHSXSFMD-UHFFFAOYSA-N
XLogP0.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.96
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylboronic acid?
The IUPAC name of cyclohex-2-en-1-ylboronic acid (CID 59089933) is cyclohex-2-en-1-ylboronic acid.
What is the SMILES notation for cyclohex-2-en-1-ylboronic acid?
The canonical SMILES for cyclohex-2-en-1-ylboronic acid is OB(O)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylboronic acid?
The InChIKey is SBPKTFVHSXSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h2,4,6,8-9H,1,3,5H2.
What are the key properties of cyclohex-2-en-1-ylboronic acid?
cyclohex-2-en-1-ylboronic acid has a molecular weight of 125.96 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylboronic acid is sourced from PubChem (CID 59089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).