[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane

C13H17ClSi — CID 170467968

IUPAC[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C#CCCCl)cc1
InChIInChI=1S/C13H17ClSi/c1-15(2,3)13-9-7-12(8-10-13)6-4-5-11-14/h7-10H,5,11H2,1-3H3
InChIKeyQOYTUKXSQXMQEA-UHFFFAOYSA-N
MW236.82 g/mol
LogP3.21
Rot. Bonds2

About [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane

[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane (PubChem CID 170467968) has the molecular formula C13H17ClSi and a molecular weight of 236.82 g/mol. Its IUPAC name is [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
PubChem CID170467968
Molecular FormulaC13H17ClSi
Molecular Weight236.82 g/mol
Exact Mass236.08
IUPAC Name[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C#CCCCl)cc1
InChIInChI=1S/C13H17ClSi/c1-15(2,3)13-9-7-12(8-10-13)6-4-5-11-14/h7-10H,5,11H2,1-3H3
InChIKeyQOYTUKXSQXMQEA-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.82
LogP ≤ 53.21
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Trimethylbenzylsilane
CID 69862
Benzene, [(chlorodimethylsilyl)methyl]-
CID 15780
p-Tolyltrimethylsilane
CID 298149
(3-Chloroprop-1-yn-1-yl)benzene
CID 287343
1-Phenyl-2-(trimethylsilyl)acetylene
CID 137464
Benzene, [(dimethylsilyl)methyl]-
CID 6328719
Benzyl(chloromethyl)dimethylsilane
CID 4046821
(P-Tolyl)triethylsilane
CID 4588896
(4-Fluorophenylethynyl)trimethylsilane
CID 5102724
Dimethylbis(phenylethynyl)silane
CID 11010735
1-(Dimethylsilyl)-2-phenylacetylene
CID 11062683
Chlorodimethyl(3-phenylpropyl)silane
CID 86971

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane?
The IUPAC name of [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane (CID 170467968) is [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(C#CCCCl)cc1.
What is the InChIKey of [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane?
The InChIKey is QOYTUKXSQXMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClSi/c1-15(2,3)13-9-7-12(8-10-13)6-4-5-11-14/h7-10H,5,11H2,1-3H3.
What are the key properties of [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane?
[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane has a molecular weight of 236.82 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane is sourced from PubChem (CID 170467968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).