docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)

C176H330F11N44O33P11 — CID 142702508

IUPACdocosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/22C8H15N2.11FH2O3P/c22*1-3-4-5-10-7-6-9(2)8-10;11*1-5(2,3)4/h22*6-8H,3-5H2,1-2H3;11*(H2,2,3,4)/q22*+1;;;;;;;;;;;/p-22
InChIKeyPXWAOEHSAJZBRT-UHFFFAOYSA-A
MW4140.54 g/mol
LogP11.11
Rot. Bonds66

About docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)

docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane) (PubChem CID 142702508) has the molecular formula C176H330F11N44O33P11 and a molecular weight of 4140.54 g/mol. Its IUPAC name is docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedocosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
PubChem CID142702508
Molecular FormulaC176H330F11N44O33P11
Molecular Weight4140.54 g/mol
Exact Mass4138.24
IUPAC Namedocosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/22C8H15N2.11FH2O3P/c22*1-3-4-5-10-7-6-9(2)8-10;11*1-5(2,3)4/h22*6-8H,3-5H2,1-2H3;11*(H2,2,3,4)/q22*+1;;;;;;;;;;;/p-22
InChIKeyPXWAOEHSAJZBRT-UHFFFAOYSA-A
XLogP11.11
TPSA888.91 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds66
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004140.54
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

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Related Compounds

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
CID 173063535
1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
CID 173257218
bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium
CID 18451606
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-butyl-3-methylimidazol-3-ium;trimethyl phosphate
CID 175119009
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
dimethyl phosphate;1-hexadecyl-3-methylimidazol-3-ium
CID 86677011
dipropyl phosphate;1-methyl-3-pentylimidazol-1-ium
CID 89414213
1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
CID 51051367
1-butyl-3-methylimidazol-3-ium;dihydrogen phosphite
CID 87096076
1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
CID 175105794

Frequently Asked Questions

What is the IUPAC name of docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)?
The IUPAC name of docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane) (CID 142702508) is docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane) is CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.CCCCn1cc[n+](C)c1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)?
The InChIKey is PXWAOEHSAJZBRT-UHFFFAOYSA-A. The full InChI is InChI=1S/22C8H15N2.11FH2O3P/c22*1-3-4-5-10-7-6-9(2)8-10;11*1-5(2,3)4/h22*6-8H,3-5H2,1-2H3;11*(H2,2,3,4)/q22*+1;;;;;;;;;;;/p-22.
What are the key properties of docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)?
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane) has a molecular weight of 4140.54 g/mol, XLogP of 11.11, 66 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 142702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).