tributyl(2-ethylhexyl)phosphanium

C20H44P+ — CID 20519085

IUPACtributyl(2-ethylhexyl)phosphanium
SMILESCCCCC(CC)C[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H44P/c1-6-11-15-20(10-5)19-21(16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3/q+1
InChIKeyVQNYOFIREBYFLR-UHFFFAOYSA-N
MW315.55 g/mol
LogP7.62
Rot. Bonds15

About tributyl(2-ethylhexyl)phosphanium

tributyl(2-ethylhexyl)phosphanium (PubChem CID 20519085) has the molecular formula C20H44P+ and a molecular weight of 315.55 g/mol. Its IUPAC name is tributyl(2-ethylhexyl)phosphanium.

Molecular Properties

Compound Nametributyl(2-ethylhexyl)phosphanium
PubChem CID20519085
Molecular FormulaC20H44P+
Molecular Weight315.55 g/mol
Exact Mass315.32
IUPAC Nametributyl(2-ethylhexyl)phosphanium
SMILESCCCCC(CC)C[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H44P/c1-6-11-15-20(10-5)19-21(16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3/q+1
InChIKeyVQNYOFIREBYFLR-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.62
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

tris(2-ethylhexyl)-hexylphosphanium
CID 171726579
tributyl(2-hexadecylicosyl)phosphanium bromide
CID 11285775
(5S)-3,5-diethylnonane;methane
CID 159387669
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,9-dibutyl-7-methyltridecane
CID 20810653
5-ethylnonane;5-propylnonane
CID 157441807
5,8,10-triethylpentadecane
CID 123791231
8-ethyl-4,6-dimethyldodecane
CID 123186055
tributyl(ethyl)phosphanium;yttrium
CID 157495061
(2S)-2-ethylhexan-1-amine
CID 6999997
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748

Frequently Asked Questions

What is the IUPAC name of tributyl(2-ethylhexyl)phosphanium?
The IUPAC name of tributyl(2-ethylhexyl)phosphanium (CID 20519085) is tributyl(2-ethylhexyl)phosphanium.
What is the SMILES notation for tributyl(2-ethylhexyl)phosphanium?
The canonical SMILES for tributyl(2-ethylhexyl)phosphanium is CCCCC(CC)C[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(2-ethylhexyl)phosphanium?
The InChIKey is VQNYOFIREBYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44P/c1-6-11-15-20(10-5)19-21(16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3/q+1.
What are the key properties of tributyl(2-ethylhexyl)phosphanium?
tributyl(2-ethylhexyl)phosphanium has a molecular weight of 315.55 g/mol, XLogP of 7.62, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-ethylhexyl)phosphanium is sourced from PubChem (CID 20519085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).