dodecyl-diethyl-methylphosphanium bromide

C17H38BrP — CID 162058265

IUPACdodecyl-diethyl-methylphosphanium bromide
SMILESCCCCCCCCCCCC[P+](C)(CC)CC.[Br-]
InChIInChI=1S/C17H38P.BrH/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyYZLYIXILEYOOPY-UHFFFAOYSA-M
MW353.37 g/mol
LogP3.60
Rot. Bonds13

About dodecyl-diethyl-methylphosphanium bromide

dodecyl-diethyl-methylphosphanium bromide (PubChem CID 162058265) has the molecular formula C17H38BrP and a molecular weight of 353.37 g/mol. Its IUPAC name is dodecyl-diethyl-methylphosphanium bromide.

Molecular Properties

Compound Namedodecyl-diethyl-methylphosphanium bromide
PubChem CID162058265
Molecular FormulaC17H38BrP
Molecular Weight353.37 g/mol
Exact Mass352.19
IUPAC Namedodecyl-diethyl-methylphosphanium bromide
SMILESCCCCCCCCCCCC[P+](C)(CC)CC.[Br-]
InChIInChI=1S/C17H38P.BrH/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyYZLYIXILEYOOPY-UHFFFAOYSA-M
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
methyl(trioctyl)phosphanium;phosphane;hydrobromide
CID 174695100
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide
CID 174865572
dibutyl-ethyl-methylphosphanium
CID 58444360
decyl-dimethyl-nonylphosphanium
CID 87732648
tributyl(methyl)phosphanium;tributyl(octyl)phosphanium;triethyl(octyl)phosphanium
CID 175008911
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
trimethyl(tritetracontyl)phosphanium
CID 157055900

Frequently Asked Questions

What is the IUPAC name of dodecyl-diethyl-methylphosphanium bromide?
The IUPAC name of dodecyl-diethyl-methylphosphanium bromide (CID 162058265) is dodecyl-diethyl-methylphosphanium bromide.
What is the SMILES notation for dodecyl-diethyl-methylphosphanium bromide?
The canonical SMILES for dodecyl-diethyl-methylphosphanium bromide is CCCCCCCCCCCC[P+](C)(CC)CC.[Br-].
What is the InChIKey of dodecyl-diethyl-methylphosphanium bromide?
The InChIKey is YZLYIXILEYOOPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38P.BrH/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl-diethyl-methylphosphanium bromide?
dodecyl-diethyl-methylphosphanium bromide has a molecular weight of 353.37 g/mol, XLogP of 3.60, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-diethyl-methylphosphanium bromide is sourced from PubChem (CID 162058265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).