carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))

C88H208N6O2Y12+4 — CID 157236344

IUPACcarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1oc(C)c(CC)[n+]1C.[CH2-]c1c(C)oc(CC(C)C)[n+]1C.[CH2-]c1c2cccc[n+]2c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H18N2.C10H19N2.C10H17NO.C9H16NO.2C4H10.4C3H8.4C2H6.8CH4.10CH3.12Y/c1-10(2)9-13-14(4)11(3)12-7-5-6-8-15(12)13;1-6-9-8(3)11(4)10(7-2)12(9)5;1-7(2)6-10-11(5)8(3)9(4)12-10;1-5-8-7(3)11-9(6-2)10(8)4;2*1-4(2)3;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-8,10H,3,9H2,1-2,4H3;6-7H2,1-5H3;7H,3,6H2,1-2,4-5H3;5-6H2,1-4H3;2*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;8*1H4;10*1H3;;;;;;;;;;;;/q;+1;;+1;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;4*+3
InChIKeyWICHOXCGPBIFAC-UHFFFAOYSA-N
MW2449.54 g/mol
LogP29.41
Rot. Bonds8

About carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))

carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) (PubChem CID 157236344) has the molecular formula C88H208N6O2Y12+4 and a molecular weight of 2449.54 g/mol. Its IUPAC name is carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)).

Molecular Properties

Compound Namecarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))
PubChem CID157236344
Molecular FormulaC88H208N6O2Y12+4
Molecular Weight2449.54 g/mol
Exact Mass2448.50
IUPAC Namecarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1oc(C)c(CC)[n+]1C.[CH2-]c1c(C)oc(CC(C)C)[n+]1C.[CH2-]c1c2cccc[n+]2c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H18N2.C10H19N2.C10H17NO.C9H16NO.2C4H10.4C3H8.4C2H6.8CH4.10CH3.12Y/c1-10(2)9-13-14(4)11(3)12-7-5-6-8-15(12)13;1-6-9-8(3)11(4)10(7-2)12(9)5;1-7(2)6-10-11(5)8(3)9(4)12-10;1-5-8-7(3)11-9(6-2)10(8)4;2*1-4(2)3;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-8,10H,3,9H2,1-2,4H3;6-7H2,1-5H3;7H,3,6H2,1-2,4-5H3;5-6H2,1-4H3;2*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;8*1H4;10*1H3;;;;;;;;;;;;/q;+1;;+1;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;4*+3
InChIKeyWICHOXCGPBIFAC-UHFFFAOYSA-N
XLogP29.41
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002449.54
LogP ≤ 529.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))?
The IUPAC name of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) (CID 157236344) is carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)).
What is the SMILES notation for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))?
The canonical SMILES for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) is C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)C.CC(C)C.CCC.CCC.CCC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1oc(C)c(CC)[n+]1C.[CH2-]c1c(C)oc(CC(C)C)[n+]1C.[CH2-]c1c2cccc[n+]2c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))?
The InChIKey is WICHOXCGPBIFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C10H19N2.C10H17NO.C9H16NO.2C4H10.4C3H8.4C2H6.8CH4.10CH3.12Y/c1-10(2)9-13-14(4)11(3)12-7-5-6-8-15(12)13;1-6-9-8(3)11(4)10(7-2)12(9)5;1-7(2)6-10-11(5)8(3)9(4)12-10;1-5-8-7(3)11-9(6-2)10(8)4;2*1-4(2)3;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-8,10H,3,9H2,1-2,4H3;6-7H2,1-5H3;7H,3,6H2,1-2,4-5H3;5-6H2,1-4H3;2*4H,1-3H3;4*3H2,1-2H3;4*1-2H3;8*1H4;10*1H3;;;;;;;;;;;;/q;+1;;+1;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;4*+3.
What are the key properties of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+))?
carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) has a molecular weight of 2449.54 g/mol, XLogP of 29.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;ethane;methane;4-methanidyl-3,5-dimethyl-2-(2-methylpropyl)-1,3-oxazol-3-ium;1-methanidyl-2-methyl-3-(2-methylpropyl)imidazo[1,5-a]pyridin-4-ium;bis(2-methylpropane);propane;octakis(yttrium);tetrakis(yttrium(3+)) is sourced from PubChem (CID 157236344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).