tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium

C20H37NO4P+ — CID 102579235

IUPACtributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H37NO4P/c1-4-7-14-26(15-8-5-2,16-9-6-3)17-10-11-20(24)25-21-18(22)12-13-19(21)23/h4-17H2,1-3H3/q+1
InChIKeyUUZWHTZKCFYPHR-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.79
Rot. Bonds14

About tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium

tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium (PubChem CID 102579235) has the molecular formula C20H37NO4P+ and a molecular weight of 386.49 g/mol. Its IUPAC name is tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium.

Molecular Properties

Compound Nametributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
PubChem CID102579235
Molecular FormulaC20H37NO4P+
Molecular Weight386.49 g/mol
Exact Mass386.25
IUPAC Nametributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H37NO4P/c1-4-7-14-26(15-8-5-2,16-9-6-3)17-10-11-20(24)25-21-18(22)12-13-19(21)23/h4-17H2,1-3H3/q+1
InChIKeyUUZWHTZKCFYPHR-UHFFFAOYSA-N
XLogP4.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
CID 144847954
(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate
CID 87985069
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 22159166
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
CID 102377713
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium?
The IUPAC name of tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium (CID 102579235) is tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium.
What is the SMILES notation for tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium?
The canonical SMILES for tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium is CCCC[P+](CCCC)(CCCC)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium?
The InChIKey is UUZWHTZKCFYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4P/c1-4-7-14-26(15-8-5-2,16-9-6-3)17-10-11-20(24)25-21-18(22)12-13-19(21)23/h4-17H2,1-3H3/q+1.
What are the key properties of tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium?
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium has a molecular weight of 386.49 g/mol, XLogP of 4.79, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium is sourced from PubChem (CID 102579235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).