cyclohexen-1-yloxyboronic acid

C6H11BO3 — CID 140545452

IUPACcyclohexen-1-yloxyboronic acid
SMILESOB(O)OC1=CCCCC1
InChIInChI=1S/C6H11BO3/c8-7(9)10-6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKeyOHWNZAHLCQENHK-UHFFFAOYSA-N
MW141.96 g/mol
LogP0.43
Rot. Bonds2

About cyclohexen-1-yloxyboronic acid

cyclohexen-1-yloxyboronic acid (PubChem CID 140545452) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol. Its IUPAC name is cyclohexen-1-yloxyboronic acid.

Molecular Properties

Compound Namecyclohexen-1-yloxyboronic acid
PubChem CID140545452
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Namecyclohexen-1-yloxyboronic acid
SMILESOB(O)OC1=CCCCC1
InChIInChI=1S/C6H11BO3/c8-7(9)10-6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKeyOHWNZAHLCQENHK-UHFFFAOYSA-N
XLogP0.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yloxyboronic acid?
The IUPAC name of cyclohexen-1-yloxyboronic acid (CID 140545452) is cyclohexen-1-yloxyboronic acid.
What is the SMILES notation for cyclohexen-1-yloxyboronic acid?
The canonical SMILES for cyclohexen-1-yloxyboronic acid is OB(O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yloxyboronic acid?
The InChIKey is OHWNZAHLCQENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO3/c8-7(9)10-6-4-2-1-3-5-6/h4,8-9H,1-3,5H2.
What are the key properties of cyclohexen-1-yloxyboronic acid?
cyclohexen-1-yloxyboronic acid has a molecular weight of 141.96 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yloxyboronic acid is sourced from PubChem (CID 140545452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).