trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane

C54H42N2O6Si2 — CID 174136404

IUPACtrimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane
SMILESCC#CC#CC#CC#CC#CC#CO[Si](CCCCN1CCN(CCCC[Si](OC)(OC)OC)CC1)(OC#CC#CC#CC#CC#CC#CC)OC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C54H42N2O6Si2/c1-7-10-13-16-19-22-25-28-31-34-39-50-60-64(61-51-40-35-32-29-26-23-20-17-14-11-8-2,62-52-41-36-33-30-27-24-21-18-15-12-9-3)54-43-38-45-56-48-46-55(47-49-56)44-37-42-53-63(57-4,58-5)59-6/h37-38,42-49,53-54H2,1-6H3
InChIKeyLYUWKJBXQAPFLG-UHFFFAOYSA-N
MW871.11 g/mol
LogP3.02
Rot. Bonds16

About trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane

trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane (PubChem CID 174136404) has the molecular formula C54H42N2O6Si2 and a molecular weight of 871.11 g/mol. Its IUPAC name is trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane
PubChem CID174136404
Molecular FormulaC54H42N2O6Si2
Molecular Weight871.11 g/mol
Exact Mass870.26
IUPAC Nametrimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane
SMILESCC#CC#CC#CC#CC#CC#CO[Si](CCCCN1CCN(CCCC[Si](OC)(OC)OC)CC1)(OC#CC#CC#CC#CC#CC#CC)OC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C54H42N2O6Si2/c1-7-10-13-16-19-22-25-28-31-34-39-50-60-64(61-51-40-35-32-29-26-23-20-17-14-11-8-2,62-52-41-36-33-30-27-24-21-18-15-12-9-3)54-43-38-45-56-48-46-55(47-49-56)44-37-42-53-63(57-4,58-5)59-6/h37-38,42-49,53-54H2,1-6H3
InChIKeyLYUWKJBXQAPFLG-UHFFFAOYSA-N
XLogP3.02
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500871.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane 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 trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane?
The IUPAC name of trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane (CID 174136404) is trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane.
What is the SMILES notation for trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane?
The canonical SMILES for trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane is CC#CC#CC#CC#CC#CC#CO[Si](CCCCN1CCN(CCCC[Si](OC)(OC)OC)CC1)(OC#CC#CC#CC#CC#CC#CC)OC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane?
The InChIKey is LYUWKJBXQAPFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O6Si2/c1-7-10-13-16-19-22-25-28-31-34-39-50-60-64(61-51-40-35-32-29-26-23-20-17-14-11-8-2,62-52-41-36-33-30-27-24-21-18-15-12-9-3)54-43-38-45-56-48-46-55(47-49-56)44-37-42-53-63(57-4,58-5)59-6/h37-38,42-49,53-54H2,1-6H3.
What are the key properties of trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane?
trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane has a molecular weight of 871.11 g/mol, XLogP of 3.02, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[4-[4-tris(trideca-1,3,5,7,9,11-hexaynoxy)silylbutyl]piperazin-1-yl]butyl]silane is sourced from PubChem (CID 174136404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).