CID 173057488

C6H16AlCl3Li — CID 173057488

IUPAC—
SMILESCCCl.CCCl.CCCl.[Al].[H-].[Li+]
InChIInChI=1S/3C2H5Cl.Al.Li.H/c3*1-2-3;;;/h3*2H2,1H3;;;/q;;;;+1;-1
InChIKeyPHHVYDRINRZETN-UHFFFAOYSA-N
MW228.48 g/mol
LogP0.47
Rot. Bonds

About CID 173057488

CID 173057488 (PubChem CID 173057488) has the molecular formula C6H16AlCl3Li and a molecular weight of 228.48 g/mol.

Molecular Properties

Compound NameCID 173057488
PubChem CID173057488
Molecular FormulaC6H16AlCl3Li
Molecular Weight228.48 g/mol
Exact Mass227.03
IUPAC Name—
SMILESCCCl.CCCl.CCCl.[Al].[H-].[Li+]
InChIInChI=1S/3C2H5Cl.Al.Li.H/c3*1-2-3;;;/h3*2H2,1H3;;;/q;;;;+1;-1
InChIKeyPHHVYDRINRZETN-UHFFFAOYSA-N
XLogP0.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze CID 173057488 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 173057488?
The IUPAC name of CID 173057488 (CID 173057488) is not available.
What is the SMILES notation for CID 173057488?
The canonical SMILES for CID 173057488 is CCCl.CCCl.CCCl.[Al].[H-].[Li+].
What is the InChIKey of CID 173057488?
The InChIKey is PHHVYDRINRZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5Cl.Al.Li.H/c3*1-2-3;;;/h3*2H2,1H3;;;/q;;;;+1;-1.
What are the key properties of CID 173057488?
CID 173057488 has a molecular weight of 228.48 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173057488 is sourced from PubChem (CID 173057488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).