[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane

C13H20Cl2Si — CID 106324133

IUPAC[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C13H20Cl2Si/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3
InChIKeyKUIBUBKXPKQCRJ-UHFFFAOYSA-N
MW275.29 g/mol
LogP5.08
Rot. Bonds5

About [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane

[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane (PubChem CID 106324133) has the molecular formula C13H20Cl2Si and a molecular weight of 275.29 g/mol. Its IUPAC name is [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
PubChem CID106324133
Molecular FormulaC13H20Cl2Si
Molecular Weight275.29 g/mol
Exact Mass274.07
IUPAC Name[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)Cc1ccccc1Cl
InChIInChI=1S/C13H20Cl2Si/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3
InChIKeyKUIBUBKXPKQCRJ-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.29
LogP ≤ 55.08
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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Related Compounds

[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324208
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
CID 66050569
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 66050349
1-chloro-2-[2-(chloromethyl)-5-methylsulfonylpentyl]benzene
CID 66048378
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
2-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 66048162
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66048380
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66048824
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The IUPAC name of [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane (CID 106324133) is [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane.
What is the SMILES notation for [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The canonical SMILES for [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane is C[Si](C)(C)CC(CCl)Cc1ccccc1Cl.
What is the InChIKey of [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
The InChIKey is KUIBUBKXPKQCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2Si/c1-16(2,3)10-11(9-14)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3.
What are the key properties of [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane?
[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane has a molecular weight of 275.29 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).