butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium

C25H51N2O4Si2+ — CID 163761396

IUPACbutyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium
SMILESC=C1CCC(=O)N1OC(=O)CCCCC[N+](CCCC)(CCCCC)CCC[Si](C)(C)O[SiH3]
InChIInChI=1S/C25H51N2O4Si2/c1-6-8-12-19-27(18-9-7-2,21-14-22-33(4,5)31-32)20-13-10-11-15-25(29)30-26-23(3)16-17-24(26)28/h3,6-22H2,1-2,4-5,32H3/q+1
InChIKeyAPBOKCTUXBFVFI-UHFFFAOYSA-N
MW499.87 g/mol
LogP4.84
Rot. Bonds19

About butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium

butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium (PubChem CID 163761396) has the molecular formula C25H51N2O4Si2+ and a molecular weight of 499.87 g/mol. Its IUPAC name is butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium.

Molecular Properties

Compound Namebutyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium
PubChem CID163761396
Molecular FormulaC25H51N2O4Si2+
Molecular Weight499.87 g/mol
Exact Mass499.34
IUPAC Namebutyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium
SMILESC=C1CCC(=O)N1OC(=O)CCCCC[N+](CCCC)(CCCCC)CCC[Si](C)(C)O[SiH3]
InChIInChI=1S/C25H51N2O4Si2/c1-6-8-12-19-27(18-9-7-2,21-14-22-33(4,5)31-32)20-13-10-11-15-25(29)30-26-23(3)16-17-24(26)28/h3,6-22H2,1-2,4-5,32H3/q+1
InChIKeyAPBOKCTUXBFVFI-UHFFFAOYSA-N
XLogP4.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.87
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-[3-[dimethyl(silyloxy)silyl]propylamino]-6-oxohexanoate
CID 163761392
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-trimethylazanium bromide
CID 87129877
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
(2-methylidene-5-oxopyrrolidin-1-yl) 3-propylsulfanylpropanoate
CID 154964233
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
9-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-methylidene-5-oxopyrrolidin-1-yl) (2R)-2-methyl-4-oxononanedioate
CID 147591810

Frequently Asked Questions

What is the IUPAC name of butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium?
The IUPAC name of butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium (CID 163761396) is butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium.
What is the SMILES notation for butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium?
The canonical SMILES for butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium is C=C1CCC(=O)N1OC(=O)CCCCC[N+](CCCC)(CCCCC)CCC[Si](C)(C)O[SiH3].
What is the InChIKey of butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium?
The InChIKey is APBOKCTUXBFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N2O4Si2/c1-6-8-12-19-27(18-9-7-2,21-14-22-33(4,5)31-32)20-13-10-11-15-25(29)30-26-23(3)16-17-24(26)28/h3,6-22H2,1-2,4-5,32H3/q+1.
What are the key properties of butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium?
butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium has a molecular weight of 499.87 g/mol, XLogP of 4.84, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-[dimethyl(silyloxy)silyl]propyl]-[6-(2-methylidene-5-oxopyrrolidin-1-yl)oxy-6-oxohexyl]-pentylazanium is sourced from PubChem (CID 163761396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).