tributyl(1-deuteriopropyl)phosphanium;yttrium

C15H34PY+ — CID 160962574

IUPACtributyl(1-deuteriopropyl)phosphanium;yttrium
SMILES[2H]C(CC)[P+](CCCC)(CCCC)CCCC.[Y]
InChIInChI=1S/C15H34P.Y/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h5-15H2,1-4H3;/q+1;/i12D;
InChIKeyJZMCGMKHSHIHIG-MLIRVPSASA-N
MW335.32 g/mol
LogP5.81
Rot. Bonds11

About tributyl(1-deuteriopropyl)phosphanium;yttrium

tributyl(1-deuteriopropyl)phosphanium;yttrium (PubChem CID 160962574) has the molecular formula C15H34PY+ and a molecular weight of 335.32 g/mol. Its IUPAC name is tributyl(1-deuteriopropyl)phosphanium;yttrium.

Molecular Properties

Compound Nametributyl(1-deuteriopropyl)phosphanium;yttrium
PubChem CID160962574
Molecular FormulaC15H34PY+
Molecular Weight335.32 g/mol
Exact Mass335.15
IUPAC Nametributyl(1-deuteriopropyl)phosphanium;yttrium
SMILES[2H]C(CC)[P+](CCCC)(CCCC)CCCC.[Y]
InChIInChI=1S/C15H34P.Y/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h5-15H2,1-4H3;/q+1;/i12D;
InChIKeyJZMCGMKHSHIHIG-MLIRVPSASA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.32
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
tributyl(ethyl)phosphanium;yttrium
CID 157495061
tetrabutylphosphanium;tin(4+)
CID 160650774
dibutyl(didecyl)phosphanium chloride
CID 87777295
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
butyl(triheptyl)phosphanium
CID 87777247
triheptyl(nonyl)phosphanium chloride
CID 87778209
dibutyl(dipentyl)phosphanium iodide
CID 87778767

Frequently Asked Questions

What is the IUPAC name of tributyl(1-deuteriopropyl)phosphanium;yttrium?
The IUPAC name of tributyl(1-deuteriopropyl)phosphanium;yttrium (CID 160962574) is tributyl(1-deuteriopropyl)phosphanium;yttrium.
What is the SMILES notation for tributyl(1-deuteriopropyl)phosphanium;yttrium?
The canonical SMILES for tributyl(1-deuteriopropyl)phosphanium;yttrium is [2H]C(CC)[P+](CCCC)(CCCC)CCCC.[Y].
What is the InChIKey of tributyl(1-deuteriopropyl)phosphanium;yttrium?
The InChIKey is JZMCGMKHSHIHIG-MLIRVPSASA-N. The full InChI is InChI=1S/C15H34P.Y/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h5-15H2,1-4H3;/q+1;/i12D;.
What are the key properties of tributyl(1-deuteriopropyl)phosphanium;yttrium?
tributyl(1-deuteriopropyl)phosphanium;yttrium has a molecular weight of 335.32 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-deuteriopropyl)phosphanium;yttrium is sourced from PubChem (CID 160962574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).