trimethyl(tritetracontyl)phosphanium

C46H96P+ — CID 157055900

IUPACtrimethyl(tritetracontyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C46H96P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47(2,3)4/h5-46H2,1-4H3/q+1
InChIKeyTUUFTUPOZTVMTP-UHFFFAOYSA-N
MW680.25 g/mol
LogP17.91
Rot. Bonds42

About trimethyl(tritetracontyl)phosphanium

trimethyl(tritetracontyl)phosphanium (PubChem CID 157055900) has the molecular formula C46H96P+ and a molecular weight of 680.25 g/mol. Its IUPAC name is trimethyl(tritetracontyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(tritetracontyl)phosphanium
PubChem CID157055900
Molecular FormulaC46H96P+
Molecular Weight680.25 g/mol
Exact Mass679.72
IUPAC Nametrimethyl(tritetracontyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C46H96P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47(2,3)4/h5-46H2,1-4H3/q+1
InChIKeyTUUFTUPOZTVMTP-UHFFFAOYSA-N
XLogP17.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.25
LogP ≤ 517.91
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
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
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(tritetracontyl)phosphanium?
The IUPAC name of trimethyl(tritetracontyl)phosphanium (CID 157055900) is trimethyl(tritetracontyl)phosphanium.
What is the SMILES notation for trimethyl(tritetracontyl)phosphanium?
The canonical SMILES for trimethyl(tritetracontyl)phosphanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[P+](C)(C)C.
What is the InChIKey of trimethyl(tritetracontyl)phosphanium?
The InChIKey is TUUFTUPOZTVMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H96P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47(2,3)4/h5-46H2,1-4H3/q+1.
What are the key properties of trimethyl(tritetracontyl)phosphanium?
trimethyl(tritetracontyl)phosphanium has a molecular weight of 680.25 g/mol, XLogP of 17.91, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tritetracontyl)phosphanium is sourced from PubChem (CID 157055900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).