Borolan-1-yl

C4H8B — CID 13332817

IUPAC—
SMILES[B]1CCCC1
InChIInChI=1S/C4H8B/c1-2-4-5-3-1/h1-4H2
InChIKeyHBXRPXYBMZDIQL-UHFFFAOYSA-N
MW66.92 g/mol
LogP1.32
Rot. Bonds

About Borolan-1-yl

Borolan-1-yl (PubChem CID 13332817) has the molecular formula C4H8B and a molecular weight of 66.92 g/mol.

Molecular Properties

Compound NameBorolan-1-yl
PubChem CID13332817
Molecular FormulaC4H8B
Molecular Weight66.92 g/mol
Exact Mass67.07
IUPAC Name—
SMILES[B]1CCCC1
InChIInChI=1S/C4H8B/c1-2-4-5-3-1/h1-4H2
InChIKeyHBXRPXYBMZDIQL-UHFFFAOYSA-N
XLogP1.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.92
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 Borolan-1-yl?
The IUPAC name of Borolan-1-yl (CID 13332817) is not available.
What is the SMILES notation for Borolan-1-yl?
The canonical SMILES for Borolan-1-yl is [B]1CCCC1.
What is the InChIKey of Borolan-1-yl?
The InChIKey is HBXRPXYBMZDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8B/c1-2-4-5-3-1/h1-4H2.
What are the key properties of Borolan-1-yl?
Borolan-1-yl has a molecular weight of 66.92 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Borolan-1-yl is sourced from PubChem (CID 13332817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).