trichloro(11-pyrrol-1-ylundecyl)silane

C15H26Cl3NSi — CID 21024531

IUPACtrichloro(11-pyrrol-1-ylundecyl)silane
SMILESCl[Si](Cl)(Cl)CCCCCCCCCCCn1cccc1
InChIInChI=1S/C15H26Cl3NSi/c16-20(17,18)15-11-7-5-3-1-2-4-6-8-12-19-13-9-10-14-19/h9-10,13-14H,1-8,11-12,15H2
InChIKeyPXGHHPHOZWVNAV-UHFFFAOYSA-N
MW354.83 g/mol
LogP6.65
Rot. Bonds12

About trichloro(11-pyrrol-1-ylundecyl)silane

trichloro(11-pyrrol-1-ylundecyl)silane (PubChem CID 21024531) has the molecular formula C15H26Cl3NSi and a molecular weight of 354.83 g/mol. Its IUPAC name is trichloro(11-pyrrol-1-ylundecyl)silane.

Molecular Properties

Compound Nametrichloro(11-pyrrol-1-ylundecyl)silane
PubChem CID21024531
Molecular FormulaC15H26Cl3NSi
Molecular Weight354.83 g/mol
Exact Mass353.09
IUPAC Nametrichloro(11-pyrrol-1-ylundecyl)silane
SMILESCl[Si](Cl)(Cl)CCCCCCCCCCCn1cccc1
InChIInChI=1S/C15H26Cl3NSi/c16-20(17,18)15-11-7-5-3-1-2-4-6-8-12-19-13-9-10-14-19/h9-10,13-14H,1-8,11-12,15H2
InChIKeyPXGHHPHOZWVNAV-UHFFFAOYSA-N
XLogP6.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.83
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(11-pyrrol-1-ylundecyl)silane?
The IUPAC name of trichloro(11-pyrrol-1-ylundecyl)silane (CID 21024531) is trichloro(11-pyrrol-1-ylundecyl)silane.
What is the SMILES notation for trichloro(11-pyrrol-1-ylundecyl)silane?
The canonical SMILES for trichloro(11-pyrrol-1-ylundecyl)silane is Cl[Si](Cl)(Cl)CCCCCCCCCCCn1cccc1.
What is the InChIKey of trichloro(11-pyrrol-1-ylundecyl)silane?
The InChIKey is PXGHHPHOZWVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Cl3NSi/c16-20(17,18)15-11-7-5-3-1-2-4-6-8-12-19-13-9-10-14-19/h9-10,13-14H,1-8,11-12,15H2.
What are the key properties of trichloro(11-pyrrol-1-ylundecyl)silane?
trichloro(11-pyrrol-1-ylundecyl)silane has a molecular weight of 354.83 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(11-pyrrol-1-ylundecyl)silane is sourced from PubChem (CID 21024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).