CID 174141656

C5H9B3 — CID 174141656

IUPAC—
SMILES[B]C([B])(C)C([B])(C)C
InChIInChI=1S/C5H9B3/c1-4(2,6)5(3,7)8/h1-3H3
InChIKeyKWGVTZPVWJNVPA-UHFFFAOYSA-N
MW101.56 g/mol
LogP0.83
Rot. Bonds1

About CID 174141656

CID 174141656 (PubChem CID 174141656) has the molecular formula C5H9B3 and a molecular weight of 101.56 g/mol.

Molecular Properties

Compound NameCID 174141656
PubChem CID174141656
Molecular FormulaC5H9B3
Molecular Weight101.56 g/mol
Exact Mass102.10
IUPAC Name—
SMILES[B]C([B])(C)C([B])(C)C
InChIInChI=1S/C5H9B3/c1-4(2,6)5(3,7)8/h1-3H3
InChIKeyKWGVTZPVWJNVPA-UHFFFAOYSA-N
XLogP0.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.56
LogP ≤ 50.83
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 CID 174141656?
The IUPAC name of CID 174141656 (CID 174141656) is not available.
What is the SMILES notation for CID 174141656?
The canonical SMILES for CID 174141656 is [B]C([B])(C)C([B])(C)C.
What is the InChIKey of CID 174141656?
The InChIKey is KWGVTZPVWJNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9B3/c1-4(2,6)5(3,7)8/h1-3H3.
What are the key properties of CID 174141656?
CID 174141656 has a molecular weight of 101.56 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174141656 is sourced from PubChem (CID 174141656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).