bora-pinacol

C5H11BO2 — CID 134691686

IUPAC—
SMILES[B]C(C)(O)C(C)(C)O
InChIInChI=1S/C5H11BO2/c1-4(2,7)5(3,6)8/h7-8H,1-3H3
InChIKeyYWUUFKLRGCHACQ-UHFFFAOYSA-N
MW113.95 g/mol
LogP-0.37
Rot. Bonds1

About bora-pinacol

bora-pinacol (PubChem CID 134691686) has the molecular formula C5H11BO2 and a molecular weight of 113.95 g/mol.

Molecular Properties

Compound Namebora-pinacol
PubChem CID134691686
Molecular FormulaC5H11BO2
Molecular Weight113.95 g/mol
Exact Mass114.09
IUPAC Name—
SMILES[B]C(C)(O)C(C)(C)O
InChIInChI=1S/C5H11BO2/c1-4(2,7)5(3,6)8/h7-8H,1-3H3
InChIKeyYWUUFKLRGCHACQ-UHFFFAOYSA-N
XLogP-0.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.95
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bora-pinacol?
The IUPAC name of bora-pinacol (CID 134691686) is not available.
What is the SMILES notation for bora-pinacol?
The canonical SMILES for bora-pinacol is [B]C(C)(O)C(C)(C)O.
What is the InChIKey of bora-pinacol?
The InChIKey is YWUUFKLRGCHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO2/c1-4(2,7)5(3,6)8/h7-8H,1-3H3.
What are the key properties of bora-pinacol?
bora-pinacol has a molecular weight of 113.95 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bora-pinacol is sourced from PubChem (CID 134691686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).