trichloro-(2-prop-2-enylphenyl)silane

C9H9Cl3Si — CID 68903994

IUPACtrichloro-(2-prop-2-enylphenyl)silane
SMILESC=CCc1ccccc1[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl3Si/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h2-4,6-7H,1,5H2
InChIKeyYYIYTHAGIDLFKK-UHFFFAOYSA-N
MW251.62 g/mol
LogP3.28
Rot. Bonds3

About trichloro-(2-prop-2-enylphenyl)silane

trichloro-(2-prop-2-enylphenyl)silane (PubChem CID 68903994) has the molecular formula C9H9Cl3Si and a molecular weight of 251.62 g/mol. Its IUPAC name is trichloro-(2-prop-2-enylphenyl)silane.

Molecular Properties

Compound Nametrichloro-(2-prop-2-enylphenyl)silane
PubChem CID68903994
Molecular FormulaC9H9Cl3Si
Molecular Weight251.62 g/mol
Exact Mass249.95
IUPAC Nametrichloro-(2-prop-2-enylphenyl)silane
SMILESC=CCc1ccccc1[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl3Si/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h2-4,6-7H,1,5H2
InChIKeyYYIYTHAGIDLFKK-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-(2-prop-2-enylphenyl)silane?
The IUPAC name of trichloro-(2-prop-2-enylphenyl)silane (CID 68903994) is trichloro-(2-prop-2-enylphenyl)silane.
What is the SMILES notation for trichloro-(2-prop-2-enylphenyl)silane?
The canonical SMILES for trichloro-(2-prop-2-enylphenyl)silane is C=CCc1ccccc1[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-(2-prop-2-enylphenyl)silane?
The InChIKey is YYIYTHAGIDLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3Si/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h2-4,6-7H,1,5H2.
What are the key properties of trichloro-(2-prop-2-enylphenyl)silane?
trichloro-(2-prop-2-enylphenyl)silane has a molecular weight of 251.62 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(2-prop-2-enylphenyl)silane is sourced from PubChem (CID 68903994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).