CID 162261021

C2H5B3W — CID 162261021

IUPAC—
SMILES[B][B][B]CC.[W]
InChIInChI=1S/C2H5B3.W/c1-2-4-5-3;/h2H2,1H3;
InChIKeyYBMHJMWRNGGIHY-UHFFFAOYSA-N
MW245.34 g/mol
LogP-0.17
Rot. Bonds2

About CID 162261021

CID 162261021 (PubChem CID 162261021) has the molecular formula C2H5B3W and a molecular weight of 245.34 g/mol.

Molecular Properties

Compound NameCID 162261021
PubChem CID162261021
Molecular FormulaC2H5B3W
Molecular Weight245.34 g/mol
Exact Mass246.02
IUPAC Name—
SMILES[B][B][B]CC.[W]
InChIInChI=1S/C2H5B3.W/c1-2-4-5-3;/h2H2,1H3;
InChIKeyYBMHJMWRNGGIHY-UHFFFAOYSA-N
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 5-0.17
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 162261021?
The IUPAC name of CID 162261021 (CID 162261021) is not available.
What is the SMILES notation for CID 162261021?
The canonical SMILES for CID 162261021 is [B][B][B]CC.[W].
What is the InChIKey of CID 162261021?
The InChIKey is YBMHJMWRNGGIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5B3.W/c1-2-4-5-3;/h2H2,1H3;.
What are the key properties of CID 162261021?
CID 162261021 has a molecular weight of 245.34 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162261021 is sourced from PubChem (CID 162261021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).