CID 156732896

C6H9Cl6O3Si — CID 156732896

IUPAC—
SMILESClC(Cl)CO[Si](OCC(Cl)Cl)OCC(Cl)Cl
InChIInChI=1S/C6H9Cl6O3Si/c7-4(8)1-13-16(14-2-5(9)10)15-3-6(11)12/h4-6H,1-3H2
InChIKeyDXSZOVCMZGZWEW-UHFFFAOYSA-N
MW369.94 g/mol
LogP3.43
Rot. Bonds9

About CID 156732896

CID 156732896 (PubChem CID 156732896) has the molecular formula C6H9Cl6O3Si and a molecular weight of 369.94 g/mol.

Molecular Properties

Compound NameCID 156732896
PubChem CID156732896
Molecular FormulaC6H9Cl6O3Si
Molecular Weight369.94 g/mol
Exact Mass366.85
IUPAC Name—
SMILESClC(Cl)CO[Si](OCC(Cl)Cl)OCC(Cl)Cl
InChIInChI=1S/C6H9Cl6O3Si/c7-4(8)1-13-16(14-2-5(9)10)15-3-6(11)12/h4-6H,1-3H2
InChIKeyDXSZOVCMZGZWEW-UHFFFAOYSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 156732896?
The IUPAC name of CID 156732896 (CID 156732896) is not available.
What is the SMILES notation for CID 156732896?
The canonical SMILES for CID 156732896 is ClC(Cl)CO[Si](OCC(Cl)Cl)OCC(Cl)Cl.
What is the InChIKey of CID 156732896?
The InChIKey is DXSZOVCMZGZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl6O3Si/c7-4(8)1-13-16(14-2-5(9)10)15-3-6(11)12/h4-6H,1-3H2.
What are the key properties of CID 156732896?
CID 156732896 has a molecular weight of 369.94 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156732896 is sourced from PubChem (CID 156732896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).