cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)

C266H503N33O8S6 — CID 158504682

IUPACcumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1S(C)(=O)=O.CC(C)C1CCCNC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)c1nnn(C)n1.Cc1ccc(C(C)C)s1
InChIInChI=1S/3C9H19N.C9H18.C9H12.C8H17NO2S.2C8H13N.2C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H12S.2C8H16.3C7H12N2.C7H10N2.2C7H10O.2C7H10S.C6H11N3.2C6H9NO.2C6H9NS.C5H10N4.C5H8N2O.21CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)12(3,10)11;2*1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-4-7(3)9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;4*1-6(2)7-3-4-8-5-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)5-7-6-3-8-5;;;;;;;;;;;;;;;;;;;;;/h3*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;21*1H4
InChIKeyHKICPIWDXKTAHN-UHFFFAOYSA-N
MW4484.57 g/mol
LogP81.38
Rot. Bonds34

About cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)

cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) (PubChem CID 158504682) has the molecular formula C266H503N33O8S6 and a molecular weight of 4484.57 g/mol. Its IUPAC name is cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene).

Molecular Properties

Compound Namecumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
PubChem CID158504682
Molecular FormulaC266H503N33O8S6
Molecular Weight4484.57 g/mol
Exact Mass4480.83
IUPAC Namecumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1S(C)(=O)=O.CC(C)C1CCCNC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)c1nnn(C)n1.Cc1ccc(C(C)C)s1
InChIInChI=1S/3C9H19N.C9H18.C9H12.C8H17NO2S.2C8H13N.2C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H12S.2C8H16.3C7H12N2.C7H10N2.2C7H10O.2C7H10S.C6H11N3.2C6H9NO.2C6H9NS.C5H10N4.C5H8N2O.21CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)12(3,10)11;2*1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-4-7(3)9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;4*1-6(2)7-3-4-8-5-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)5-7-6-3-8-5;;;;;;;;;;;;;;;;;;;;;/h3*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;21*1H4
InChIKeyHKICPIWDXKTAHN-UHFFFAOYSA-N
XLogP81.38
TPSA438.40 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds34
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004484.57
LogP ≤ 581.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Analyze cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)?
The IUPAC name of cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) (CID 158504682) is cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene).
What is the SMILES notation for cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)?
The canonical SMILES for cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1S(C)(=O)=O.CC(C)C1CCCNC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)c1nnn(C)n1.Cc1ccc(C(C)C)s1.
What is the InChIKey of cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)?
The InChIKey is HKICPIWDXKTAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C9H18.C9H12.C8H17NO2S.2C8H13N.2C8H11N.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H12S.2C8H16.3C7H12N2.C7H10N2.2C7H10O.2C7H10S.C6H11N3.2C6H9NO.2C6H9NS.C5H10N4.C5H8N2O.21CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)12(3,10)11;2*1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-4-7(3)9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;4*1-6(2)7-3-4-8-5-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)5-7-6-3-8-5;;;;;;;;;;;;;;;;;;;;;/h3*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,4-6H2,1-3H3;2*4-7H,1-3H3;2*3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*7-8H,3-6H2,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;21*1H4.
What are the key properties of cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)?
cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) has a molecular weight of 4484.57 g/mol, XLogP of 81.38, 34 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene) is sourced from PubChem (CID 158504682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).