pentakis(decyl(trimethyl)azanium);pentachloride

C65H150Cl5N5 — CID 158242115

IUPACpentakis(decyl(trimethyl)azanium);pentachloride
SMILESCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/5C13H30N.5ClH/c5*1-5-6-7-8-9-10-11-12-13-14(2,3)4;;;;;/h5*5-13H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyVKAHKSTUXSKOCY-UHFFFAOYSA-I
MW1179.21 g/mol
LogP4.19
Rot. Bonds45

About pentakis(decyl(trimethyl)azanium);pentachloride

pentakis(decyl(trimethyl)azanium);pentachloride (PubChem CID 158242115) has the molecular formula C65H150Cl5N5 and a molecular weight of 1179.21 g/mol. Its IUPAC name is pentakis(decyl(trimethyl)azanium);pentachloride.

Molecular Properties

Compound Namepentakis(decyl(trimethyl)azanium);pentachloride
PubChem CID158242115
Molecular FormulaC65H150Cl5N5
Molecular Weight1179.21 g/mol
Exact Mass1176.03
IUPAC Namepentakis(decyl(trimethyl)azanium);pentachloride
SMILESCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/5C13H30N.5ClH/c5*1-5-6-7-8-9-10-11-12-13-14(2,3)4;;;;;/h5*5-13H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyVKAHKSTUXSKOCY-UHFFFAOYSA-I
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms75
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001179.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
hexadecyl(trimethyl)azanium;chloride;hydrate
CID 87398885

Frequently Asked Questions

What is the IUPAC name of pentakis(decyl(trimethyl)azanium);pentachloride?
The IUPAC name of pentakis(decyl(trimethyl)azanium);pentachloride (CID 158242115) is pentakis(decyl(trimethyl)azanium);pentachloride.
What is the SMILES notation for pentakis(decyl(trimethyl)azanium);pentachloride?
The canonical SMILES for pentakis(decyl(trimethyl)azanium);pentachloride is CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.CCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of pentakis(decyl(trimethyl)azanium);pentachloride?
The InChIKey is VKAHKSTUXSKOCY-UHFFFAOYSA-I. The full InChI is InChI=1S/5C13H30N.5ClH/c5*1-5-6-7-8-9-10-11-12-13-14(2,3)4;;;;;/h5*5-13H2,1-4H3;5*1H/q5*+1;;;;;/p-5.
What are the key properties of pentakis(decyl(trimethyl)azanium);pentachloride?
pentakis(decyl(trimethyl)azanium);pentachloride has a molecular weight of 1179.21 g/mol, XLogP of 4.19, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(decyl(trimethyl)azanium);pentachloride is sourced from PubChem (CID 158242115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).