dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium

C43H92NSi+ — CID 151093423

IUPACdimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC([SiH3])CCC(C)C
InChIInChI=1S/C43H92NSi/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-35-40-44(4,5)41-36-33-30-27-24-21-18-15-16-19-22-25-28-31-34-37-43(45)39-38-42(2)3/h42-43H,6-41H2,1-5,45H3/q+1
InChIKeyMMPLSTWZGUTELN-UHFFFAOYSA-N
MW651.30 g/mol
LogP14.16
Rot. Bonds38

About dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium

dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium (PubChem CID 151093423) has the molecular formula C43H92NSi+ and a molecular weight of 651.30 g/mol. Its IUPAC name is dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium.

Molecular Properties

Compound Namedimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium
PubChem CID151093423
Molecular FormulaC43H92NSi+
Molecular Weight651.30 g/mol
Exact Mass650.70
IUPAC Namedimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC([SiH3])CCC(C)C
InChIInChI=1S/C43H92NSi/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-35-40-44(4,5)41-36-33-30-27-24-21-18-15-16-19-22-25-28-31-34-37-43(45)39-38-42(2)3/h42-43H,6-41H2,1-5,45H3/q+1
InChIKeyMMPLSTWZGUTELN-UHFFFAOYSA-N
XLogP14.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.30
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
octadecan-9-ylsilane
CID 123535784
dimethyl-bis(6-octylhexadecyl)azanium
CID 132523612
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819

Frequently Asked Questions

What is the IUPAC name of dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium?
The IUPAC name of dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium (CID 151093423) is dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium.
What is the SMILES notation for dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium?
The canonical SMILES for dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC([SiH3])CCC(C)C.
What is the InChIKey of dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium?
The InChIKey is MMPLSTWZGUTELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H92NSi/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-35-40-44(4,5)41-36-33-30-27-24-21-18-15-16-19-22-25-28-31-34-37-43(45)39-38-42(2)3/h42-43H,6-41H2,1-5,45H3/q+1.
What are the key properties of dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium?
dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium has a molecular weight of 651.30 g/mol, XLogP of 14.16, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium is sourced from PubChem (CID 151093423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).