methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium

C88H179N4O12Si+ — CID 167409340

IUPACmethyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO[Si](CCC[N+](C)(CCCCCCCCC)CCCCCCCCC)(OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC)OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C88H178N4O12Si/c1-7-12-17-22-27-30-33-36-39-42-45-48-51-56-61-67-83(99)89-86(74-93,75-94)80-102-105(73-66-72-92(6,70-64-59-54-25-20-15-10-4)71-65-60-55-26-21-16-11-5,103-81-87(76-95,77-96)90-84(100)68-62-57-52-49-46-43-40-37-34-31-28-23-18-13-8-2)104-82-88(78-97,79-98)91-85(101)69-63-58-53-50-47-44-41-38-35-32-29-24-19-14-9-3/h93-98H,7-82H2,1-6H3,(H2-,89,90,91,99,100,101)/p+1
InChIKeyMDWNRTSDNDIWDK-UHFFFAOYSA-O
MW1513.50 g/mol
LogP20.62
Rot. Bonds86

About methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium

methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium (PubChem CID 167409340) has the molecular formula C88H179N4O12Si+ and a molecular weight of 1513.50 g/mol. Its IUPAC name is methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium.

Molecular Properties

Compound Namemethyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium
PubChem CID167409340
Molecular FormulaC88H179N4O12Si+
Molecular Weight1513.50 g/mol
Exact Mass1512.33
IUPAC Namemethyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO[Si](CCC[N+](C)(CCCCCCCCC)CCCCCCCCC)(OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC)OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C88H178N4O12Si/c1-7-12-17-22-27-30-33-36-39-42-45-48-51-56-61-67-83(99)89-86(74-93,75-94)80-102-105(73-66-72-92(6,70-64-59-54-25-20-15-10-4)71-65-60-55-26-21-16-11-5,103-81-87(76-95,77-96)90-84(100)68-62-57-52-49-46-43-40-37-34-31-28-23-18-13-8-2)104-82-88(78-97,79-98)91-85(101)69-63-58-53-50-47-44-41-38-35-32-29-24-19-14-9-3/h93-98H,7-82H2,1-6H3,(H2-,89,90,91,99,100,101)/p+1
InChIKeyMDWNRTSDNDIWDK-UHFFFAOYSA-O
XLogP20.62
TPSA236.37 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds86
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.50
LogP ≤ 520.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

methyl-di(tetradecyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium
CID 167409300
methyl-[3-tris[2-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)propoxy]silylpropyl]-di(undecyl)azanium
CID 167409372
didecyl-methyl-[3-tris[2-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)propoxy]silylpropyl]azanium
CID 156729716
dimethyl-[3-tris[2-(hexadecanoylamino)-3-hydroxy-2-(hydroxymethyl)propoxy]silylpropyl]-undecylazanium
CID 167409218
methyl-di(tetradecyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfoethylamino)propoxy]silylpropyl]azanium
CID 156729717
decyl-methyl-octadecyl-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-[(2-hydroxy-3-sulfopropyl)amino]propoxy]silylpropyl]azanium
CID 169065730
didecyl-[3-[2,2-dimethylbutoxy-bis(3-hydroxy-2,2-dimethylpropoxy)silyl]propyl]-methylazanium
CID 171717064
2-[[1,3-dihydroxy-2-[[[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfoethylamino)propoxy]-[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfonatoethylamino)propoxy]-[3-[methyl-di(tetradecyl)azaniumyl]propyl]silyl]oxymethyl]propan-2-yl]amino]ethanesulfonate
CID 169065715
2-[[1-[3-[dihexyl(methyl)azaniumyl]propyl-[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfoethylamino)propoxy]-[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfonatoethylamino)propoxy]silyl]oxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonate
CID 169065789
2-[[1-[3-[didecyl(methyl)azaniumyl]propyl-bis[3-hydroxy-2-(hydroxymethyl)-2-(2-sulfoethylamino)propoxy]silyl]oxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonate
CID 168735361
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888

Frequently Asked Questions

What is the IUPAC name of methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium?
The IUPAC name of methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium (CID 167409340) is methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium.
What is the SMILES notation for methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium?
The canonical SMILES for methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium is CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO[Si](CCC[N+](C)(CCCCCCCCC)CCCCCCCCC)(OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC)OCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium?
The InChIKey is MDWNRTSDNDIWDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C88H178N4O12Si/c1-7-12-17-22-27-30-33-36-39-42-45-48-51-56-61-67-83(99)89-86(74-93,75-94)80-102-105(73-66-72-92(6,70-64-59-54-25-20-15-10-4)71-65-60-55-26-21-16-11-5,103-81-87(76-95,77-96)90-84(100)68-62-57-52-49-46-43-40-37-34-31-28-23-18-13-8-2)104-82-88(78-97,79-98)91-85(101)69-63-58-53-50-47-44-41-38-35-32-29-24-19-14-9-3/h93-98H,7-82H2,1-6H3,(H2-,89,90,91,99,100,101)/p+1.
What are the key properties of methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium?
methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium has a molecular weight of 1513.50 g/mol, XLogP of 20.62, 86 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(nonyl)-[3-tris[3-hydroxy-2-(hydroxymethyl)-2-(octadecanoylamino)propoxy]silylpropyl]azanium is sourced from PubChem (CID 167409340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).