trimethyl(tritriacontyl)phosphanium

C36H76P+ — CID 118223234

IUPACtrimethyl(tritriacontyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C36H76P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2,3)4/h5-36H2,1-4H3/q+1
InChIKeyUZEJXZCAAJFEBS-UHFFFAOYSA-N
MW539.98 g/mol
LogP14.01
Rot. Bonds32

About trimethyl(tritriacontyl)phosphanium

trimethyl(tritriacontyl)phosphanium (PubChem CID 118223234) has the molecular formula C36H76P+ and a molecular weight of 539.98 g/mol. Its IUPAC name is trimethyl(tritriacontyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(tritriacontyl)phosphanium
PubChem CID118223234
Molecular FormulaC36H76P+
Molecular Weight539.98 g/mol
Exact Mass539.57
IUPAC Nametrimethyl(tritriacontyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C36H76P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2,3)4/h5-36H2,1-4H3/q+1
InChIKeyUZEJXZCAAJFEBS-UHFFFAOYSA-N
XLogP14.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.98
LogP ≤ 514.01
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(tritetracontyl)phosphanium
CID 157055900
henicosyl(trimethyl)phosphanium chloride
CID 118223391
heptatriacontyl(trimethyl)phosphanium;hexatriacontyl(trimethyl)phosphanium;dibromide
CID 158251637
dopentacontyl(trimethyl)phosphanium bromide
CID 118223258
hexyl(trimethyl)phosphanium bromide
CID 87777909
hexacosyl(trimethyl)phosphanium chloride
CID 118223241
cyanamide;trimethyl(octyl)phosphanium
CID 87573111
decyl-dimethyl-nonylphosphanium
CID 87732648
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
trihexadecyl(methyl)phosphanium
CID 22750516
triheptyl(methyl)phosphanium
CID 87447401
trioctyl(undecyl)phosphanium
CID 87776674

Frequently Asked Questions

What is the IUPAC name of trimethyl(tritriacontyl)phosphanium?
The IUPAC name of trimethyl(tritriacontyl)phosphanium (CID 118223234) is trimethyl(tritriacontyl)phosphanium.
What is the SMILES notation for trimethyl(tritriacontyl)phosphanium?
The canonical SMILES for trimethyl(tritriacontyl)phosphanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.
What is the InChIKey of trimethyl(tritriacontyl)phosphanium?
The InChIKey is UZEJXZCAAJFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2,3)4/h5-36H2,1-4H3/q+1.
What are the key properties of trimethyl(tritriacontyl)phosphanium?
trimethyl(tritriacontyl)phosphanium has a molecular weight of 539.98 g/mol, XLogP of 14.01, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tritriacontyl)phosphanium is sourced from PubChem (CID 118223234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).