[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane

C12H18Cl2Si — CID 123841204

IUPAC[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane
SMILESC[SiH](C)CCCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H18Cl2Si/c1-15(2)9-3-4-12(14)10-5-7-11(13)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyFUQHWIYYPNHTSR-UHFFFAOYSA-N
MW261.27 g/mol
LogP4.89
Rot. Bonds5

About [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane

[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane (PubChem CID 123841204) has the molecular formula C12H18Cl2Si and a molecular weight of 261.27 g/mol. Its IUPAC name is [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane.

Molecular Properties

Compound Name[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane
PubChem CID123841204
Molecular FormulaC12H18Cl2Si
Molecular Weight261.27 g/mol
Exact Mass260.06
IUPAC Name[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane
SMILESC[SiH](C)CCCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H18Cl2Si/c1-15(2)9-3-4-12(14)10-5-7-11(13)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyFUQHWIYYPNHTSR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 54.89
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

1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
CID 22760341
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
4-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
1-chloro-2-(4-chlorophenyl)hexan-1-amine
CID 70590029
1-(1,5-dichloropentyl)-4-methylbenzene
CID 54532884
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
CID 82366966

Frequently Asked Questions

What is the IUPAC name of [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane?
The IUPAC name of [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane (CID 123841204) is [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane.
What is the SMILES notation for [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane?
The canonical SMILES for [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane is C[SiH](C)CCCC(Cl)c1ccc(Cl)cc1.
What is the InChIKey of [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane?
The InChIKey is FUQHWIYYPNHTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2Si/c1-15(2)9-3-4-12(14)10-5-7-11(13)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3.
What are the key properties of [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane?
[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane has a molecular weight of 261.27 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane is sourced from PubChem (CID 123841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).