butyl-chloro-(2-phenylethenyl)silane

C12H17ClSi — CID 123567769

IUPACbutyl-chloro-(2-phenylethenyl)silane
SMILESCCCC[SiH](Cl)C=Cc1ccccc1
InChIInChI=1S/C12H17ClSi/c1-2-3-10-14(13)11-9-12-7-5-4-6-8-12/h4-9,11,14H,2-3,10H2,1H3
InChIKeyXDBIQNJLTGOMEH-UHFFFAOYSA-N
MW224.81 g/mol
LogP4.00
Rot. Bonds5

About butyl-chloro-(2-phenylethenyl)silane

butyl-chloro-(2-phenylethenyl)silane (PubChem CID 123567769) has the molecular formula C12H17ClSi and a molecular weight of 224.81 g/mol. Its IUPAC name is butyl-chloro-(2-phenylethenyl)silane.

Molecular Properties

Compound Namebutyl-chloro-(2-phenylethenyl)silane
PubChem CID123567769
Molecular FormulaC12H17ClSi
Molecular Weight224.81 g/mol
Exact Mass224.08
IUPAC Namebutyl-chloro-(2-phenylethenyl)silane
SMILESCCCC[SiH](Cl)C=Cc1ccccc1
InChIInChI=1S/C12H17ClSi/c1-2-3-10-14(13)11-9-12-7-5-4-6-8-12/h4-9,11,14H,2-3,10H2,1H3
InChIKeyXDBIQNJLTGOMEH-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.81
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-fluoro-(2-phenylethenyl)silane
CID 148546997
pentan-1-ol;(E)-stilbene
CID 172553874
but-1-enyl-butyl-chlorosilane
CID 154112217
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
[(E)-octadec-1-enyl]benzene
CID 22722345
dimethyl(2-phenylethenyl)silane;hydrate
CID 174408191
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
fluoro-methyl-(2-phenylethenyl)silane
CID 148547019
hex-1-enylbenzene;prop-1-ene
CID 157442084
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
octadecan-1-amine;(E)-3-phenylprop-2-enal
CID 175548086
oct-1-enylbenzene;phosphoric acid
CID 159316508

Frequently Asked Questions

What is the IUPAC name of butyl-chloro-(2-phenylethenyl)silane?
The IUPAC name of butyl-chloro-(2-phenylethenyl)silane (CID 123567769) is butyl-chloro-(2-phenylethenyl)silane.
What is the SMILES notation for butyl-chloro-(2-phenylethenyl)silane?
The canonical SMILES for butyl-chloro-(2-phenylethenyl)silane is CCCC[SiH](Cl)C=Cc1ccccc1.
What is the InChIKey of butyl-chloro-(2-phenylethenyl)silane?
The InChIKey is XDBIQNJLTGOMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClSi/c1-2-3-10-14(13)11-9-12-7-5-4-6-8-12/h4-9,11,14H,2-3,10H2,1H3.
What are the key properties of butyl-chloro-(2-phenylethenyl)silane?
butyl-chloro-(2-phenylethenyl)silane has a molecular weight of 224.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-(2-phenylethenyl)silane is sourced from PubChem (CID 123567769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).