[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane

C21H33ClSi3 — CID 123323073

IUPAC[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane
SMILESCc1cc([SiH](CCl)c2cc(C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1
InChIInChI=1S/C21H33ClSi3/c1-16-9-18(13-20(11-16)24(3,4)5)23(15-22)19-10-17(2)12-21(14-19)25(6,7)8/h9-14,23H,15H2,1-8H3
InChIKeyDRRZBCUFYYAULS-UHFFFAOYSA-N
MW405.21 g/mol
LogP3.51
Rot. Bonds5

About [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane

[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane (PubChem CID 123323073) has the molecular formula C21H33ClSi3 and a molecular weight of 405.21 g/mol. Its IUPAC name is [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane
PubChem CID123323073
Molecular FormulaC21H33ClSi3
Molecular Weight405.21 g/mol
Exact Mass404.16
IUPAC Name[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane
SMILESCc1cc([SiH](CCl)c2cc(C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1
InChIInChI=1S/C21H33ClSi3/c1-16-9-18(13-20(11-16)24(3,4)5)23(15-22)19-10-17(2)12-21(14-19)25(6,7)8/h9-14,23H,15H2,1-8H3
InChIKeyDRRZBCUFYYAULS-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 53.51
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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane?
The IUPAC name of [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane (CID 123323073) is [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane.
What is the SMILES notation for [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane?
The canonical SMILES for [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane is Cc1cc([SiH](CCl)c2cc(C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1.
What is the InChIKey of [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane?
The InChIKey is DRRZBCUFYYAULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClSi3/c1-16-9-18(13-20(11-16)24(3,4)5)23(15-22)19-10-17(2)12-21(14-19)25(6,7)8/h9-14,23H,15H2,1-8H3.
What are the key properties of [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane?
[3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane has a molecular weight of 405.21 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[chloromethyl-(3-methyl-5-trimethylsilylphenyl)silyl]-5-methylphenyl]-trimethylsilane is sourced from PubChem (CID 123323073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).