methanolate;tetraoctadecylazanium

C73H151NO — CID 118496567

IUPACmethanolate;tetraoctadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.C[O-]
InChIInChI=1S/C72H148N.CH3O/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-2/h5-72H2,1-4H3;1H3/q+1;-1
InChIKeyHVAMDYOQNIXPBK-UHFFFAOYSA-N
MW1059.02 g/mol
LogP25.83
Rot. Bonds68

About methanolate;tetraoctadecylazanium

methanolate;tetraoctadecylazanium (PubChem CID 118496567) has the molecular formula C73H151NO and a molecular weight of 1059.02 g/mol. Its IUPAC name is methanolate;tetraoctadecylazanium.

Molecular Properties

Compound Namemethanolate;tetraoctadecylazanium
PubChem CID118496567
Molecular FormulaC73H151NO
Molecular Weight1059.02 g/mol
Exact Mass1058.18
IUPAC Namemethanolate;tetraoctadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.C[O-]
InChIInChI=1S/C72H148N.CH3O/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-2/h5-72H2,1-4H3;1H3/q+1;-1
InChIKeyHVAMDYOQNIXPBK-UHFFFAOYSA-N
XLogP25.83
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds68
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.02
LogP ≤ 525.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanolate;tetraoctadecylazanium 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

octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406
tetradecyl-tri(tridecyl)azanium
CID 87805804
heptyl(tripentyl)azanium
CID 87447622

Frequently Asked Questions

What is the IUPAC name of methanolate;tetraoctadecylazanium?
The IUPAC name of methanolate;tetraoctadecylazanium (CID 118496567) is methanolate;tetraoctadecylazanium.
What is the SMILES notation for methanolate;tetraoctadecylazanium?
The canonical SMILES for methanolate;tetraoctadecylazanium is CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.C[O-].
What is the InChIKey of methanolate;tetraoctadecylazanium?
The InChIKey is HVAMDYOQNIXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H148N.CH3O/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-2/h5-72H2,1-4H3;1H3/q+1;-1.
What are the key properties of methanolate;tetraoctadecylazanium?
methanolate;tetraoctadecylazanium has a molecular weight of 1059.02 g/mol, XLogP of 25.83, 68 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;tetraoctadecylazanium is sourced from PubChem (CID 118496567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).