benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium

C15H25ClNSi+ — CID 10550441

IUPACbenzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium
SMILESC[N+](C/C=C/Cl)(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H25ClNSi/c1-17(12-8-11-16,14-18(2,3)4)13-15-9-6-5-7-10-15/h5-11H,12-14H2,1-4H3/q+1/b11-8+
InChIKeyUDUPLEYXJURVMH-DHZHZOJOSA-N
MW282.91 g/mol
LogP4.26
Rot. Bonds6

About benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium

benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium (PubChem CID 10550441) has the molecular formula C15H25ClNSi+ and a molecular weight of 282.91 g/mol. Its IUPAC name is benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium.

Molecular Properties

Compound Namebenzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium
PubChem CID10550441
Molecular FormulaC15H25ClNSi+
Molecular Weight282.91 g/mol
Exact Mass282.14
IUPAC Namebenzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium
SMILESC[N+](C/C=C/Cl)(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C15H25ClNSi/c1-17(12-8-11-16,14-18(2,3)4)13-15-9-6-5-7-10-15/h5-11H,12-14H2,1-4H3/q+1/b11-8+
InChIKeyUDUPLEYXJURVMH-DHZHZOJOSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium?
The IUPAC name of benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium (CID 10550441) is benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium.
What is the SMILES notation for benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium?
The canonical SMILES for benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium is C[N+](C/C=C/Cl)(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium?
The InChIKey is UDUPLEYXJURVMH-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H25ClNSi/c1-17(12-8-11-16,14-18(2,3)4)13-15-9-6-5-7-10-15/h5-11H,12-14H2,1-4H3/q+1/b11-8+.
What are the key properties of benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium?
benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium has a molecular weight of 282.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(E)-3-chloroprop-2-enyl]-methyl-(trimethylsilylmethyl)azanium is sourced from PubChem (CID 10550441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).