hexacosyl(trimethyl)phosphanium chloride

C29H62ClP — CID 118223241

IUPAChexacosyl(trimethyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C29H62P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4;/h5-29H2,1-4H3;1H/q+1;/p-1
InChIKeyOGWILYGUDHVMJJ-UHFFFAOYSA-M
MW477.24 g/mol
LogP8.28
Rot. Bonds25

About hexacosyl(trimethyl)phosphanium chloride

hexacosyl(trimethyl)phosphanium chloride (PubChem CID 118223241) has the molecular formula C29H62ClP and a molecular weight of 477.24 g/mol. Its IUPAC name is hexacosyl(trimethyl)phosphanium chloride.

Molecular Properties

Compound Namehexacosyl(trimethyl)phosphanium chloride
PubChem CID118223241
Molecular FormulaC29H62ClP
Molecular Weight477.24 g/mol
Exact Mass476.43
IUPAC Namehexacosyl(trimethyl)phosphanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C29H62P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4;/h5-29H2,1-4H3;1H/q+1;/p-1
InChIKeyOGWILYGUDHVMJJ-UHFFFAOYSA-M
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.24
LogP ≤ 58.28
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

henicosyl(trimethyl)phosphanium chloride
CID 118223391
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 hexacosyl(trimethyl)phosphanium chloride?
The IUPAC name of hexacosyl(trimethyl)phosphanium chloride (CID 118223241) is hexacosyl(trimethyl)phosphanium chloride.
What is the SMILES notation for hexacosyl(trimethyl)phosphanium chloride?
The canonical SMILES for hexacosyl(trimethyl)phosphanium chloride is CCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-].
What is the InChIKey of hexacosyl(trimethyl)phosphanium chloride?
The InChIKey is OGWILYGUDHVMJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H62P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2,3)4;/h5-29H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexacosyl(trimethyl)phosphanium chloride?
hexacosyl(trimethyl)phosphanium chloride has a molecular weight of 477.24 g/mol, XLogP of 8.28, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosyl(trimethyl)phosphanium chloride is sourced from PubChem (CID 118223241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).