CID 159395993

C4H12BY-2 — CID 159395993

IUPAC—
SMILESCC.[B].[CH3-].[CH3-].[Y]
InChIInChI=1S/C2H6.2CH3.B.Y/c1-2;;;;/h1-2H3;2*1H3;;/q;2*-1;;
InChIKeyLSUCFOTZEYHENO-UHFFFAOYSA-N
MW159.86 g/mol
LogP1.54
Rot. Bonds

About CID 159395993

CID 159395993 (PubChem CID 159395993) has the molecular formula C4H12BY-2 and a molecular weight of 159.86 g/mol.

Molecular Properties

Compound NameCID 159395993
PubChem CID159395993
Molecular FormulaC4H12BY-2
Molecular Weight159.86 g/mol
Exact Mass160.01
IUPAC Name—
SMILESCC.[B].[CH3-].[CH3-].[Y]
InChIInChI=1S/C2H6.2CH3.B.Y/c1-2;;;;/h1-2H3;2*1H3;;/q;2*-1;;
InChIKeyLSUCFOTZEYHENO-UHFFFAOYSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.86
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 159395993 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 159395993?
The IUPAC name of CID 159395993 (CID 159395993) is not available.
What is the SMILES notation for CID 159395993?
The canonical SMILES for CID 159395993 is CC.[B].[CH3-].[CH3-].[Y].
What is the InChIKey of CID 159395993?
The InChIKey is LSUCFOTZEYHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.2CH3.B.Y/c1-2;;;;/h1-2H3;2*1H3;;/q;2*-1;;.
What are the key properties of CID 159395993?
CID 159395993 has a molecular weight of 159.86 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159395993 is sourced from PubChem (CID 159395993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).