trichloro-[3-(4-phenylphenyl)propyl]silane

C15H15Cl3Si — CID 69458653

IUPACtrichloro-[3-(4-phenylphenyl)propyl]silane
SMILESCl[Si](Cl)(Cl)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15Cl3Si/c16-19(17,18)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2
InChIKeyDOGGXCHIPQEQRT-UHFFFAOYSA-N
MW329.73 g/mol
LogP5.94
Rot. Bonds5

About trichloro-[3-(4-phenylphenyl)propyl]silane

trichloro-[3-(4-phenylphenyl)propyl]silane (PubChem CID 69458653) has the molecular formula C15H15Cl3Si and a molecular weight of 329.73 g/mol. Its IUPAC name is trichloro-[3-(4-phenylphenyl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(4-phenylphenyl)propyl]silane
PubChem CID69458653
Molecular FormulaC15H15Cl3Si
Molecular Weight329.73 g/mol
Exact Mass328.00
IUPAC Nametrichloro-[3-(4-phenylphenyl)propyl]silane
SMILESCl[Si](Cl)(Cl)CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15Cl3Si/c16-19(17,18)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2
InChIKeyDOGGXCHIPQEQRT-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.73
LogP ≤ 55.94
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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Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(4-phenylphenyl)propyl]silane?
The IUPAC name of trichloro-[3-(4-phenylphenyl)propyl]silane (CID 69458653) is trichloro-[3-(4-phenylphenyl)propyl]silane.
What is the SMILES notation for trichloro-[3-(4-phenylphenyl)propyl]silane?
The canonical SMILES for trichloro-[3-(4-phenylphenyl)propyl]silane is Cl[Si](Cl)(Cl)CCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of trichloro-[3-(4-phenylphenyl)propyl]silane?
The InChIKey is DOGGXCHIPQEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3Si/c16-19(17,18)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12H2.
What are the key properties of trichloro-[3-(4-phenylphenyl)propyl]silane?
trichloro-[3-(4-phenylphenyl)propyl]silane has a molecular weight of 329.73 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(4-phenylphenyl)propyl]silane is sourced from PubChem (CID 69458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).