decyl-dimethyl-nonylphosphanium

C21H46P+ — CID 87732648

IUPACdecyl-dimethyl-nonylphosphanium
SMILESCCCCCCCCCC[P+](C)(C)CCCCCCCCC
InChIInChI=1S/C21H46P/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyJISWXFDCJDAIMB-UHFFFAOYSA-N
MW329.57 g/mol
LogP8.15
Rot. Bonds17

About decyl-dimethyl-nonylphosphanium

decyl-dimethyl-nonylphosphanium (PubChem CID 87732648) has the molecular formula C21H46P+ and a molecular weight of 329.57 g/mol. Its IUPAC name is decyl-dimethyl-nonylphosphanium.

Molecular Properties

Compound Namedecyl-dimethyl-nonylphosphanium
PubChem CID87732648
Molecular FormulaC21H46P+
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Namedecyl-dimethyl-nonylphosphanium
SMILESCCCCCCCCCC[P+](C)(C)CCCCCCCCC
InChIInChI=1S/C21H46P/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyJISWXFDCJDAIMB-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 58.15
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

trimethyl(tritriacontyl)phosphanium
CID 118223234
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
trimethyl(tritetracontyl)phosphanium
CID 157055900
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
henicosyl(trimethyl)phosphanium chloride
CID 118223391
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
azane;ethyl-hexadecyl-dimethylphosphanium;bromide;hydrobromide
CID 174865572
trioctyl(undecyl)phosphanium
CID 87776674
tri(heptadecyl)-pentadecylphosphanium
CID 87810198

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-nonylphosphanium?
The IUPAC name of decyl-dimethyl-nonylphosphanium (CID 87732648) is decyl-dimethyl-nonylphosphanium.
What is the SMILES notation for decyl-dimethyl-nonylphosphanium?
The canonical SMILES for decyl-dimethyl-nonylphosphanium is CCCCCCCCCC[P+](C)(C)CCCCCCCCC.
What is the InChIKey of decyl-dimethyl-nonylphosphanium?
The InChIKey is JISWXFDCJDAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46P/c1-5-7-9-11-13-15-17-19-21-22(3,4)20-18-16-14-12-10-8-6-2/h5-21H2,1-4H3/q+1.
What are the key properties of decyl-dimethyl-nonylphosphanium?
decyl-dimethyl-nonylphosphanium has a molecular weight of 329.57 g/mol, XLogP of 8.15, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-nonylphosphanium is sourced from PubChem (CID 87732648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).