CID 22401841

C11H15Cl2Si — CID 22401841

IUPAC—
SMILESCc1ccc(C(C)C[Si](Cl)Cl)cc1C
InChIInChI=1S/C11H15Cl2Si/c1-8-4-5-11(6-9(8)2)10(3)7-14(12)13/h4-6,10H,7H2,1-3H3
InChIKeyMRHDRPMUXSFZSW-UHFFFAOYSA-N
MW246.23 g/mol
LogP4.37
Rot. Bonds3

About CID 22401841

CID 22401841 (PubChem CID 22401841) has the molecular formula C11H15Cl2Si and a molecular weight of 246.23 g/mol.

Molecular Properties

Compound NameCID 22401841
PubChem CID22401841
Molecular FormulaC11H15Cl2Si
Molecular Weight246.23 g/mol
Exact Mass245.03
IUPAC Name—
SMILESCc1ccc(C(C)C[Si](Cl)Cl)cc1C
InChIInChI=1S/C11H15Cl2Si/c1-8-4-5-11(6-9(8)2)10(3)7-14(12)13/h4-6,10H,7H2,1-3H3
InChIKeyMRHDRPMUXSFZSW-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 7022091
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CID 144549568
methyl 2-(3,4-dimethylphenyl)propane-1-sulfinate
CID 54479282
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CID 63436116
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CID 19861187
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Frequently Asked Questions

What is the IUPAC name of CID 22401841?
The IUPAC name of CID 22401841 (CID 22401841) is not available.
What is the SMILES notation for CID 22401841?
The canonical SMILES for CID 22401841 is Cc1ccc(C(C)C[Si](Cl)Cl)cc1C.
What is the InChIKey of CID 22401841?
The InChIKey is MRHDRPMUXSFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2Si/c1-8-4-5-11(6-9(8)2)10(3)7-14(12)13/h4-6,10H,7H2,1-3H3.
What are the key properties of CID 22401841?
CID 22401841 has a molecular weight of 246.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22401841 is sourced from PubChem (CID 22401841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).