henicosyl(trimethyl)phosphanium chloride

C24H52ClP — CID 118223391

IUPAChenicosyl(trimethyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C24H52P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyXGXUKCYFJQFKGU-UHFFFAOYSA-M
MW407.11 g/mol
LogP6.33
Rot. Bonds20

About henicosyl(trimethyl)phosphanium chloride

henicosyl(trimethyl)phosphanium chloride (PubChem CID 118223391) has the molecular formula C24H52ClP and a molecular weight of 407.11 g/mol. Its IUPAC name is henicosyl(trimethyl)phosphanium chloride.

Molecular Properties

Compound Namehenicosyl(trimethyl)phosphanium chloride
PubChem CID118223391
Molecular FormulaC24H52ClP
Molecular Weight407.11 g/mol
Exact Mass406.35
IUPAC Namehenicosyl(trimethyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C24H52P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyXGXUKCYFJQFKGU-UHFFFAOYSA-M
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.11
LogP ≤ 56.33
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

hexacosyl(trimethyl)phosphanium chloride
CID 118223241
trimethyl(tritriacontyl)phosphanium
CID 118223234
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
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
decyl-dimethyl-nonylphosphanium
CID 87732648
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
triheptyl(nonyl)phosphanium chloride
CID 87778209
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401

Frequently Asked Questions

What is the IUPAC name of henicosyl(trimethyl)phosphanium chloride?
The IUPAC name of henicosyl(trimethyl)phosphanium chloride (CID 118223391) is henicosyl(trimethyl)phosphanium chloride.
What is the SMILES notation for henicosyl(trimethyl)phosphanium chloride?
The canonical SMILES for henicosyl(trimethyl)phosphanium chloride is CCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-].
What is the InChIKey of henicosyl(trimethyl)phosphanium chloride?
The InChIKey is XGXUKCYFJQFKGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1.
What are the key properties of henicosyl(trimethyl)phosphanium chloride?
henicosyl(trimethyl)phosphanium chloride has a molecular weight of 407.11 g/mol, XLogP of 6.33, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosyl(trimethyl)phosphanium chloride is sourced from PubChem (CID 118223391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).