dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

C108H204F6N24O18P6 — CID 173063485

IUPACdodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)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
InChIInChI=1S/12C9H17N2.6FH2O3P/c12*1-3-5-6-11-8-7-10(4-2)9-11;6*1-5(2,3)4/h12*7-9H,3-6H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyQXGOTFOBGGEIPV-UHFFFAOYSA-B
MW2426.80 g/mol
LogP11.85
Rot. Bonds48

About dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (PubChem CID 173063485) has the molecular formula C108H204F6N24O18P6 and a molecular weight of 2426.80 g/mol. Its IUPAC name is dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
PubChem CID173063485
Molecular FormulaC108H204F6N24O18P6
Molecular Weight2426.80 g/mol
Exact Mass2425.41
IUPAC Namedodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESCCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)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
InChIInChI=1S/12C9H17N2.6FH2O3P/c12*1-3-5-6-11-8-7-10(4-2)9-11;6*1-5(2,3)4/h12*7-9H,3-6H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyQXGOTFOBGGEIPV-UHFFFAOYSA-B
XLogP11.85
TPSA484.86 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002426.80
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-butyl-3-ethylimidazol-1-ium;dibutyl phosphate
CID 86677013
1-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
dimethyl phosphate;1-ethyl-3-octylimidazol-3-ium
CID 89414387
dipropyl phosphate;1-ethyl-3-heptylimidazol-3-ium
CID 89414298
dibutyl phosphate;1-ethyl-3-octylimidazol-3-ium
CID 89414254
4-(3-ethylimidazol-1-ium-1-yl)butanoic acid
CID 101204124
1-butyl-3-ethylimidazol-1-ium;4-methylbenzenesulfonate
CID 22251185
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
2-(3-butylimidazol-3-ium-1-yl)-N,N-diethylethanamine
CID 132565110
dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
CID 50993122

Frequently Asked Questions

What is the IUPAC name of dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The IUPAC name of dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (CID 173063485) is dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)c1.CCCC[n+]1ccn(CC)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.
What is the InChIKey of dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The InChIKey is QXGOTFOBGGEIPV-UHFFFAOYSA-B. The full InChI is InChI=1S/12C9H17N2.6FH2O3P/c12*1-3-5-6-11-8-7-10(4-2)9-11;6*1-5(2,3)4/h12*7-9H,3-6H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) has a molecular weight of 2426.80 g/mol, XLogP of 11.85, 48 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(1-butyl-3-ethylimidazol-1-ium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 173063485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).