CID 156732892

C6H12Cl3O3Si — CID 156732892

IUPAC—
SMILESCC(Cl)O[Si](OC(C)Cl)OC(C)Cl
InChIInChI=1S/C6H12Cl3O3Si/c1-4(7)10-13(11-5(2)8)12-6(3)9/h4-6H,1-3H3
InChIKeyHXHKTXNAAAXWQJ-UHFFFAOYSA-N
MW266.60 g/mol
LogP2.78
Rot. Bonds6

About CID 156732892

CID 156732892 (PubChem CID 156732892) has the molecular formula C6H12Cl3O3Si and a molecular weight of 266.60 g/mol.

Molecular Properties

Compound NameCID 156732892
PubChem CID156732892
Molecular FormulaC6H12Cl3O3Si
Molecular Weight266.60 g/mol
Exact Mass264.96
IUPAC Name—
SMILESCC(Cl)O[Si](OC(C)Cl)OC(C)Cl
InChIInChI=1S/C6H12Cl3O3Si/c1-4(7)10-13(11-5(2)8)12-6(3)9/h4-6H,1-3H3
InChIKeyHXHKTXNAAAXWQJ-UHFFFAOYSA-N
XLogP2.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 52.78
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 156732892?
The IUPAC name of CID 156732892 (CID 156732892) is not available.
What is the SMILES notation for CID 156732892?
The canonical SMILES for CID 156732892 is CC(Cl)O[Si](OC(C)Cl)OC(C)Cl.
What is the InChIKey of CID 156732892?
The InChIKey is HXHKTXNAAAXWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl3O3Si/c1-4(7)10-13(11-5(2)8)12-6(3)9/h4-6H,1-3H3.
What are the key properties of CID 156732892?
CID 156732892 has a molecular weight of 266.60 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156732892 is sourced from PubChem (CID 156732892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).