CID 156732889

C6H9Cl6O3Si — CID 156732889

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

About CID 156732889

CID 156732889 (PubChem CID 156732889) has the molecular formula C6H9Cl6O3Si and a molecular weight of 369.94 g/mol.

Molecular Properties

Compound NameCID 156732889
PubChem CID156732889
Molecular FormulaC6H9Cl6O3Si
Molecular Weight369.94 g/mol
Exact Mass366.85
IUPAC Name—
SMILESClCC(Cl)O[Si](OC(Cl)CCl)OC(Cl)CCl
InChIInChI=1S/C6H9Cl6O3Si/c7-1-4(10)13-16(14-5(11)2-8)15-6(12)3-9/h4-6H,1-3H2
InChIKeyZZNLAHQREYVBRW-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 156732889?
The IUPAC name of CID 156732889 (CID 156732889) is not available.
What is the SMILES notation for CID 156732889?
The canonical SMILES for CID 156732889 is ClCC(Cl)O[Si](OC(Cl)CCl)OC(Cl)CCl.
What is the InChIKey of CID 156732889?
The InChIKey is ZZNLAHQREYVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl6O3Si/c7-1-4(10)13-16(14-5(11)2-8)15-6(12)3-9/h4-6H,1-3H2.
What are the key properties of CID 156732889?
CID 156732889 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 156732889 is sourced from PubChem (CID 156732889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).