cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine

C276H487N41O8S7 — CID 158005276

IUPACcumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CC1.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnnn1C.CC(C)c1cnoc1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)sn1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nscc1C(C)C
InChIInChI=1S/C9H12.C8H13N.3C8H11N.C8H12.C7H10N2.C7H12N2.4C7H10N2.3C7H11NO.4C7H11NS.2C7H11N.C7H10O2S.2C7H10O.2C7H10S.C6H9N3.2C6H11N3.3C6H10N2.C6H9NO.22C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;22*1-2;/h3-8H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4*3-6H,1-2H3;7*4-5H,1-3H3;2*3-6,8H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;22*1-2H3;1H4
InChIKeyFEFHCEOTTXJNPT-UHFFFAOYSA-N
MW4732.68 g/mol
LogP89.34
Rot. Bonds33

About cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine

cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine (PubChem CID 158005276) has the molecular formula C276H487N41O8S7 and a molecular weight of 4732.68 g/mol. Its IUPAC name is cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Namecumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine
PubChem CID158005276
Molecular FormulaC276H487N41O8S7
Molecular Weight4732.68 g/mol
Exact Mass4728.70
IUPAC Namecumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CC1.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnnn1C.CC(C)c1cnoc1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)sn1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nscc1C(C)C
InChIInChI=1S/C9H12.C8H13N.3C8H11N.C8H12.C7H10N2.C7H12N2.4C7H10N2.3C7H11NO.4C7H11NS.2C7H11N.C7H10O2S.2C7H10O.2C7H10S.C6H9N3.2C6H11N3.3C6H10N2.C6H9NO.22C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;22*1-2;/h3-8H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4*3-6H,1-2H3;7*4-5H,1-3H3;2*3-6,8H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;22*1-2H3;1H4
InChIKeyFEFHCEOTTXJNPT-UHFFFAOYSA-N
XLogP89.34
TPSA634.99 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds33
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004732.68
LogP ≤ 589.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine?
The IUPAC name of cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine (CID 158005276) is cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine?
The canonical SMILES for cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CC=CC1.CC(C)C1=CS(=O)(=O)C=C1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn(C)nn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnnn1C.CC(C)c1cnoc1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)sn1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.Cc1nscc1C(C)C.
What is the InChIKey of cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine?
The InChIKey is FEFHCEOTTXJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H13N.3C8H11N.C8H12.C7H10N2.C7H12N2.4C7H10N2.3C7H11NO.4C7H11NS.2C7H11N.C7H10O2S.2C7H10O.2C7H10S.C6H9N3.2C6H11N3.3C6H10N2.C6H9NO.22C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-10(8,9)5-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;22*1-2;/h3-8H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4*3-6H,1-2H3;7*4-5H,1-3H3;2*3-6,8H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;22*1-2H3;1H4.
What are the key properties of cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine?
cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine has a molecular weight of 4732.68 g/mol, XLogP of 89.34, 33 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-ylthiophene 1,1-dioxide;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158005276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).