CID 54220043

C9H18Cl3O3Si — CID 54220043

IUPAC—
SMILESCC(Cl)CO[Si](OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H18Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9H,4-6H2,1-3H3
InChIKeyQBYAQHBLDMELDT-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.90
Rot. Bonds9

About CID 54220043

CID 54220043 (PubChem CID 54220043) has the molecular formula C9H18Cl3O3Si and a molecular weight of 308.69 g/mol.

Molecular Properties

Compound NameCID 54220043
PubChem CID54220043
Molecular FormulaC9H18Cl3O3Si
Molecular Weight308.69 g/mol
Exact Mass307.01
IUPAC Name—
SMILESCC(Cl)CO[Si](OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H18Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9H,4-6H2,1-3H3
InChIKeyQBYAQHBLDMELDT-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 54220043 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 54220043?
The IUPAC name of CID 54220043 (CID 54220043) is not available.
What is the SMILES notation for CID 54220043?
The canonical SMILES for CID 54220043 is CC(Cl)CO[Si](OCC(C)Cl)OCC(C)Cl.
What is the InChIKey of CID 54220043?
The InChIKey is QBYAQHBLDMELDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9H,4-6H2,1-3H3.
What are the key properties of CID 54220043?
CID 54220043 has a molecular weight of 308.69 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54220043 is sourced from PubChem (CID 54220043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).