methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene

C245H380N50O9S8 — CID 158465217

IUPACmethane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CC=NC1.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=CCN=C1.CC1=CCN=N1.CC1=NCC=C1.CC1C=CC=N1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.CC1N=CC=N1.CN1CCCC1.Cc1cc[nH]c1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cocn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/C7H8.4C6H7N.2C6H8.5C5H6N2.4C5H7N.C5H11N.2C5H7N.C5H11N.3C5H7N.2C5H10O.3C5H6O.2C5H10S.3C5H6S.8C4H6N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.14CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;4*1-5-2-3-6-4-5;3*1-6-4-2-3-5-6;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;2*1-3-5-4-2-6-3;;;;;;;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2*2,4H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2-5H2,1H3;2*2-5H,1H3;5-6H,2-4H2,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-5H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);3*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2H,3H2,1H3;5*2-3H,1H3;2*2H,1H3;14*1H4
InChIKeyHFRAIQZAQJONQU-UHFFFAOYSA-N
MW4426.61 g/mol
LogP64.62
Rot. Bonds

About methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene

methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene (PubChem CID 158465217) has the molecular formula C245H380N50O9S8 and a molecular weight of 4426.61 g/mol. Its IUPAC name is methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene.

Molecular Properties

Compound Namemethane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene
PubChem CID158465217
Molecular FormulaC245H380N50O9S8
Molecular Weight4426.61 g/mol
Exact Mass4422.86
IUPAC Namemethane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CC=NC1.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=CCN=C1.CC1=CCN=N1.CC1=NCC=C1.CC1C=CC=N1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.CC1N=CC=N1.CN1CCCC1.Cc1cc[nH]c1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cocn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnc1
InChIInChI=1S/C7H8.4C6H7N.2C6H8.5C5H6N2.4C5H7N.C5H11N.2C5H7N.C5H11N.3C5H7N.2C5H10O.3C5H6O.2C5H10S.3C5H6S.8C4H6N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.14CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;4*1-5-2-3-6-4-5;3*1-6-4-2-3-5-6;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;2*1-3-5-4-2-6-3;;;;;;;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2*2,4H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2-5H2,1H3;2*2-5H,1H3;5-6H,2-4H2,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-5H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);3*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2H,3H2,1H3;5*2-3H,1H3;2*2H,1H3;14*1H4
InChIKeyHFRAIQZAQJONQU-UHFFFAOYSA-N
XLogP64.62
TPSA710.93 Ų
H-Bond Donors5
H-Bond Acceptors63
Rotatable Bonds
Heavy Atoms312
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004426.61
LogP ≤ 564.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1063

Analyze methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene?
The IUPAC name of methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene (CID 158465217) is methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene.
What is the SMILES notation for methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene?
The canonical SMILES for methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CC=NC1.CC1=CCC=C1.CC1=CCC=C1.CC1=CCC=N1.CC1=CCN=C1.CC1=CCN=C1.CC1=CCN=N1.CC1=NCC=C1.CC1C=CC=N1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.CC1N=CC=N1.CN1CCCC1.Cc1cc[nH]c1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cocn1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.
What is the InChIKey of methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene?
The InChIKey is HFRAIQZAQJONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.4C6H7N.2C6H8.5C5H6N2.4C5H7N.C5H11N.2C5H7N.C5H11N.3C5H7N.2C5H10O.3C5H6O.2C5H10S.3C5H6S.8C4H6N2.3C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.14CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;4*1-5-2-3-6-4-5;3*1-6-4-2-3-5-6;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-5-2-3-6-4-5;4*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;2*1-3-5-4-2-6-3;;;;;;;;;;;;;;/h2-6H,1H3;4*2-5H,1H3;2*2,4-5H,3H2,1H3;5*2-4H,1H3;2*2,4H,3H2,1H3;2-3H,4H2,1H3;2-4,6H,1H3;2-5H2,1H3;2*2-5H,1H3;5-6H,2-4H2,1H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2-5H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2*5H,2-4H2,1H3;3*2-4H,1H3;2-3H,1H3,(H,5,6);3*2-4H,1H3;2*2-3H,1H3,(H,5,6);2-4H,1H3;2H,3H2,1H3;5*2-3H,1H3;2*2H,1H3;14*1H4.
What are the key properties of methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene?
methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene has a molecular weight of 4426.61 g/mol, XLogP of 64.62, 0 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene is sourced from PubChem (CID 158465217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).