hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)

C108H204F6N24O18P6 — CID 173063535

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
SMILESCCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[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
InChIInChI=1S/12C9H17N2.6FH2O3P/c12*1-3-4-5-6-11-8-7-10(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
InChIKeyVVPJZHZJPQKJEZ-UHFFFAOYSA-B
MW2426.80 g/mol
LogP10.74
Rot. Bonds48

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium) (PubChem CID 173063535) has the molecular formula C108H204F6N24O18P6 and a molecular weight of 2426.80 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
PubChem CID173063535
Molecular FormulaC108H204F6N24O18P6
Molecular Weight2426.80 g/mol
Exact Mass2425.41
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
SMILESCCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[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
InChIInChI=1S/12C9H17N2.6FH2O3P/c12*1-3-4-5-6-11-8-7-10(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
InChIKeyVVPJZHZJPQKJEZ-UHFFFAOYSA-B
XLogP10.74
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 ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

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Related Compounds

docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
dimethyl phosphate;1-hexadecyl-3-methylimidazol-3-ium
CID 86677011
dipropyl phosphate;1-methyl-3-pentylimidazol-1-ium
CID 89414213
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
dipropyl phosphate;1-methyl-3-octylimidazol-1-ium
CID 89414402
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-hexyl-3-methylimidazol-3-ium;hydrogen carbonate
CID 71551842
1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
CID 173257218

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium) (CID 173063535) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium) is CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[n+](C)c1.CCCCCn1cc[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.
What is the InChIKey of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)?
The InChIKey is VVPJZHZJPQKJEZ-UHFFFAOYSA-B. The full InChI is InChI=1S/12C9H17N2.6FH2O3P/c12*1-3-4-5-6-11-8-7-10(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 hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium) has a molecular weight of 2426.80 g/mol, XLogP of 10.74, 48 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium) is sourced from PubChem (CID 173063535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).