CID 159849487

C4H16Cl2I2 — CID 159849487

IUPAC—
SMILESC.C.C.CI.Cl.ClI
InChIInChI=1S/CH3I.3CH4.ClI.ClH/c1-2;;;;1-2;/h1H3;3*1H4;;1H
InChIKeyOSPCPXUMSPVTLQ-UHFFFAOYSA-N
MW388.89 g/mol
LogP4.96
Rot. Bonds

About CID 159849487

CID 159849487 (PubChem CID 159849487) has the molecular formula C4H16Cl2I2 and a molecular weight of 388.89 g/mol.

Molecular Properties

Compound NameCID 159849487
PubChem CID159849487
Molecular FormulaC4H16Cl2I2
Molecular Weight388.89 g/mol
Exact Mass387.87
IUPAC Name—
SMILESC.C.C.CI.Cl.ClI
InChIInChI=1S/CH3I.3CH4.ClI.ClH/c1-2;;;;1-2;/h1H3;3*1H4;;1H
InChIKeyOSPCPXUMSPVTLQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 159849487 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 159849487?
The IUPAC name of CID 159849487 (CID 159849487) is not available.
What is the SMILES notation for CID 159849487?
The canonical SMILES for CID 159849487 is C.C.C.CI.Cl.ClI.
What is the InChIKey of CID 159849487?
The InChIKey is OSPCPXUMSPVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3I.3CH4.ClI.ClH/c1-2;;;;1-2;/h1H3;3*1H4;;1H.
What are the key properties of CID 159849487?
CID 159849487 has a molecular weight of 388.89 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159849487 is sourced from PubChem (CID 159849487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).