[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane

C18H19ClSi — CID 164685337

IUPAC[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C=Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClSi/c1-20(2,3)18(16-10-7-11-17(19)14-16)13-12-15-8-5-4-6-9-15/h4-12,14H,1-3H3
InChIKeyVUKCXFKANZWDSB-UHFFFAOYSA-N
MW298.89 g/mol
LogP5.91
Rot. Bonds3

About [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane

[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane (PubChem CID 164685337) has the molecular formula C18H19ClSi and a molecular weight of 298.89 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
PubChem CID164685337
Molecular FormulaC18H19ClSi
Molecular Weight298.89 g/mol
Exact Mass298.09
IUPAC Name[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=C=Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClSi/c1-20(2,3)18(16-10-7-11-17(19)14-16)13-12-15-8-5-4-6-9-15/h4-12,14H,1-3H3
InChIKeyVUKCXFKANZWDSB-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.89
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The IUPAC name of [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane (CID 164685337) is [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane.
What is the SMILES notation for [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The canonical SMILES for [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane is C[Si](C)(C)C(=C=Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
The InChIKey is VUKCXFKANZWDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClSi/c1-20(2,3)18(16-10-7-11-17(19)14-16)13-12-15-8-5-4-6-9-15/h4-12,14H,1-3H3.
What are the key properties of [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane?
[1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane has a molecular weight of 298.89 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-phenylpropa-1,2-dienyl]-trimethylsilane is sourced from PubChem (CID 164685337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).