azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide

C20H48Br2NP — CID 174865572

IUPACazane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC[P+](C)(C)CC.N.[Br-]
InChIInChI=1S/C20H44P.2BrH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;;;/h5-20H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyZTEMCHMVTXFHPQ-UHFFFAOYSA-M
MW493.39 g/mol
LogP5.51
Rot. Bonds16

About azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide

azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide (PubChem CID 174865572) has the molecular formula C20H48Br2NP and a molecular weight of 493.39 g/mol. Its IUPAC name is azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide.

Molecular Properties

Compound Nameazane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide
PubChem CID174865572
Molecular FormulaC20H48Br2NP
Molecular Weight493.39 g/mol
Exact Mass491.19
IUPAC Nameazane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC[P+](C)(C)CC.N.[Br-]
InChIInChI=1S/C20H44P.2BrH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;;;/h5-20H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyZTEMCHMVTXFHPQ-UHFFFAOYSA-M
XLogP5.51
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decyl-dimethyl-nonylphosphanium
CID 87732648
dodecyl-diethyl-methylphosphanium bromide
CID 162058265
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
azane;bis(octadecane);hydrobromide
CID 174053735
ethyl-dimethyl-(5-methylhexyl)phosphanium
CID 90936970
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100
azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide
CID 174936658
trimethyl(tritriacontyl)phosphanium
CID 118223234
trihexadecyl(methyl)phosphanium
CID 22750516

Frequently Asked Questions

What is the IUPAC name of azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide?
The IUPAC name of azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide (CID 174865572) is azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide.
What is the SMILES notation for azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide?
The canonical SMILES for azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide is Br.CCCCCCCCCCCCCCCC[P+](C)(C)CC.N.[Br-].
What is the InChIKey of azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide?
The InChIKey is ZTEMCHMVTXFHPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44P.2BrH.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;;;/h5-20H2,1-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide?
azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide has a molecular weight of 493.39 g/mol, XLogP of 5.51, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide is sourced from PubChem (CID 174865572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).