CID 169429383

C8H24BY-2 — CID 169429383

IUPAC—
SMILESC.CC.CCC.[B].[CH3-].[CH3-].[Y]
InChIInChI=1S/C3H8.C2H6.CH4.2CH3.B.Y/c1-3-2;1-2;;;;;/h3H2,1-2H3;1-2H3;1H4;2*1H3;;/q;;;2*-1;;
InChIKeySMXFVQXTBBBJAB-UHFFFAOYSA-N
MW220.00 g/mol
LogP3.60
Rot. Bonds

About CID 169429383

CID 169429383 (PubChem CID 169429383) has the molecular formula C8H24BY-2 and a molecular weight of 220.00 g/mol.

Molecular Properties

Compound NameCID 169429383
PubChem CID169429383
Molecular FormulaC8H24BY-2
Molecular Weight220.00 g/mol
Exact Mass220.10
IUPAC Name—
SMILESC.CC.CCC.[B].[CH3-].[CH3-].[Y]
InChIInChI=1S/C3H8.C2H6.CH4.2CH3.B.Y/c1-3-2;1-2;;;;;/h3H2,1-2H3;1-2H3;1H4;2*1H3;;/q;;;2*-1;;
InChIKeySMXFVQXTBBBJAB-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.00
LogP ≤ 53.60
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 169429383 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 169429383?
The IUPAC name of CID 169429383 (CID 169429383) is not available.
What is the SMILES notation for CID 169429383?
The canonical SMILES for CID 169429383 is C.CC.CCC.[B].[CH3-].[CH3-].[Y].
What is the InChIKey of CID 169429383?
The InChIKey is SMXFVQXTBBBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6.CH4.2CH3.B.Y/c1-3-2;1-2;;;;;/h3H2,1-2H3;1-2H3;1H4;2*1H3;;/q;;;2*-1;;.
What are the key properties of CID 169429383?
CID 169429383 has a molecular weight of 220.00 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169429383 is sourced from PubChem (CID 169429383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).