CID 90825455

C3H4BSi — CID 90825455

IUPAC—
SMILES[B]CC=C[Si]
InChIInChI=1S/C3H4BSi/c4-2-1-3-5/h1,3H,2H2
InChIKeyOLLLAGOOSIWCJN-UHFFFAOYSA-N
MW78.96 g/mol
LogP0.26
Rot. Bonds1

About CID 90825455

CID 90825455 (PubChem CID 90825455) has the molecular formula C3H4BSi and a molecular weight of 78.96 g/mol.

Molecular Properties

Compound NameCID 90825455
PubChem CID90825455
Molecular FormulaC3H4BSi
Molecular Weight78.96 g/mol
Exact Mass79.02
IUPAC Name—
SMILES[B]CC=C[Si]
InChIInChI=1S/C3H4BSi/c4-2-1-3-5/h1,3H,2H2
InChIKeyOLLLAGOOSIWCJN-UHFFFAOYSA-N
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.96
LogP ≤ 50.26
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 90825455?
The IUPAC name of CID 90825455 (CID 90825455) is not available.
What is the SMILES notation for CID 90825455?
The canonical SMILES for CID 90825455 is [B]CC=C[Si].
What is the InChIKey of CID 90825455?
The InChIKey is OLLLAGOOSIWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BSi/c4-2-1-3-5/h1,3H,2H2.
What are the key properties of CID 90825455?
CID 90825455 has a molecular weight of 78.96 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90825455 is sourced from PubChem (CID 90825455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).