CID 88706279

C11H12Cl3OSi — CID 88706279

IUPAC—
SMILESC=CCc1cc(Cl)c(C)c(Cl)c1O[Si](C)Cl
InChIInChI=1S/C11H12Cl3OSi/c1-4-5-8-6-9(12)7(2)10(13)11(8)15-16(3)14/h4,6H,1,5H2,2-3H3
InChIKeyIFIIYSZLPUNGLZ-UHFFFAOYSA-N
MW294.66 g/mol
LogP4.77
Rot. Bonds4

About CID 88706279

CID 88706279 (PubChem CID 88706279) has the molecular formula C11H12Cl3OSi and a molecular weight of 294.66 g/mol.

Molecular Properties

Compound NameCID 88706279
PubChem CID88706279
Molecular FormulaC11H12Cl3OSi
Molecular Weight294.66 g/mol
Exact Mass292.97
IUPAC Name—
SMILESC=CCc1cc(Cl)c(C)c(Cl)c1O[Si](C)Cl
InChIInChI=1S/C11H12Cl3OSi/c1-4-5-8-6-9(12)7(2)10(13)11(8)15-16(3)14/h4,6H,1,5H2,2-3H3
InChIKeyIFIIYSZLPUNGLZ-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88706279?
The IUPAC name of CID 88706279 (CID 88706279) is not available.
What is the SMILES notation for CID 88706279?
The canonical SMILES for CID 88706279 is C=CCc1cc(Cl)c(C)c(Cl)c1O[Si](C)Cl.
What is the InChIKey of CID 88706279?
The InChIKey is IFIIYSZLPUNGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3OSi/c1-4-5-8-6-9(12)7(2)10(13)11(8)15-16(3)14/h4,6H,1,5H2,2-3H3.
What are the key properties of CID 88706279?
CID 88706279 has a molecular weight of 294.66 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88706279 is sourced from PubChem (CID 88706279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).