dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane

C10H13Cl3Si — CID 67799745

IUPACdichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane
SMILESCCc1cccc([Si](C)(Cl)Cl)c1CCl
InChIInChI=1S/C10H13Cl3Si/c1-3-8-5-4-6-10(9(8)7-11)14(2,12)13/h4-6H,3,7H2,1-2H3
InChIKeySAXDJROSGHKVKT-UHFFFAOYSA-N
MW267.66 g/mol
LogP3.74
Rot. Bonds3

About dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane

dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane (PubChem CID 67799745) has the molecular formula C10H13Cl3Si and a molecular weight of 267.66 g/mol. Its IUPAC name is dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane
PubChem CID67799745
Molecular FormulaC10H13Cl3Si
Molecular Weight267.66 g/mol
Exact Mass265.99
IUPAC Namedichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane
SMILESCCc1cccc([Si](C)(Cl)Cl)c1CCl
InChIInChI=1S/C10H13Cl3Si/c1-3-8-5-4-6-10(9(8)7-11)14(2,12)13/h4-6H,3,7H2,1-2H3
InChIKeySAXDJROSGHKVKT-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane?
The IUPAC name of dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane (CID 67799745) is dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane.
What is the SMILES notation for dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane?
The canonical SMILES for dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane is CCc1cccc([Si](C)(Cl)Cl)c1CCl.
What is the InChIKey of dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane?
The InChIKey is SAXDJROSGHKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3Si/c1-3-8-5-4-6-10(9(8)7-11)14(2,12)13/h4-6H,3,7H2,1-2H3.
What are the key properties of dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane?
dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane has a molecular weight of 267.66 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane is sourced from PubChem (CID 67799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).