perchloric acid;trimethyl(octadecyl)azanium

C21H47ClNO4+ — CID 87344309

IUPACperchloric acid;trimethyl(octadecyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H46N.ClHO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;2-1(3,4)5/h5-21H2,1-4H3;(H,2,3,4,5)/q+1;
InChIKeyABSGTXBFAPVMAC-UHFFFAOYSA-N
MW413.06 g/mol
LogP2.83
Rot. Bonds17

About perchloric acid;trimethyl(octadecyl)azanium

perchloric acid;trimethyl(octadecyl)azanium (PubChem CID 87344309) has the molecular formula C21H47ClNO4+ and a molecular weight of 413.06 g/mol. Its IUPAC name is perchloric acid;trimethyl(octadecyl)azanium.

Molecular Properties

Compound Nameperchloric acid;trimethyl(octadecyl)azanium
PubChem CID87344309
Molecular FormulaC21H47ClNO4+
Molecular Weight413.06 g/mol
Exact Mass412.32
IUPAC Nameperchloric acid;trimethyl(octadecyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H46N.ClHO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;2-1(3,4)5/h5-21H2,1-4H3;(H,2,3,4,5)/q+1;
InChIKeyABSGTXBFAPVMAC-UHFFFAOYSA-N
XLogP2.83
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.06
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl(trimethyl)azanium;ethanol;bromide
CID 161248907
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
hexadecyl(trimethyl)azanium hypobromite
CID 165160338
hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
trimethyl(octyl)azanium chloride
CID 24949
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
hexadecyl(trimethyl)azanium;propane
CID 174976794
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414

Frequently Asked Questions

What is the IUPAC name of perchloric acid;trimethyl(octadecyl)azanium?
The IUPAC name of perchloric acid;trimethyl(octadecyl)azanium (CID 87344309) is perchloric acid;trimethyl(octadecyl)azanium.
What is the SMILES notation for perchloric acid;trimethyl(octadecyl)azanium?
The canonical SMILES for perchloric acid;trimethyl(octadecyl)azanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;trimethyl(octadecyl)azanium?
The InChIKey is ABSGTXBFAPVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N.ClHO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;2-1(3,4)5/h5-21H2,1-4H3;(H,2,3,4,5)/q+1;.
What are the key properties of perchloric acid;trimethyl(octadecyl)azanium?
perchloric acid;trimethyl(octadecyl)azanium has a molecular weight of 413.06 g/mol, XLogP of 2.83, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;trimethyl(octadecyl)azanium is sourced from PubChem (CID 87344309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).