2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene

C240H340N24O6S6 — CID 157088584

IUPAC2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)c(C)s1.Cc1cc(C)cc(C)c1.Cc1cc(C)n(C)c1C.Cc1cc(C)nc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(-c2ccccc2)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/C13H14O.2C10H14.2C9H15N.2C9H12.C8H13N.2C8H11N.C8H12O.C8H12S.2C8H10.C7H12N2.2C7H10N2.C7H11N.2C7H9N.C7H10O.2C7H10S.C6H10N2.2C6H8N2.C6H9NO.C6H9NS.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;2*1-6-7(2)9(4)10(5)8(6)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-6-5-7(2)9(4)8(6)3;1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)9-8(3)5-6;2*1-5-6(2)8(4)9-7(5)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-6(2)9(4)7(3)8-5;1-5-4-8-6(2)7(3)9-5;1-5-4-6(2)8-9-7(5)3;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;3*1-5-4-6(2)8-7(5)3;1-5-4-7-6(2)8(5)3;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;2*1-4-5(2)8-6(3)7-4;2*1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h4-8H,1-3H3;2*5-6H,1-4H3;2*1-5H3;2*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;2*1-4H3;2*3-6H,1-2H3;1-4H3;2*4H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;2*3-4H,1-2H3;2*1-3H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyAEJRCMWYBWYPIE-UHFFFAOYSA-N
MW3849.92 g/mol
LogP66.46
Rot. Bonds1

About 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene

2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene (PubChem CID 157088584) has the molecular formula C240H340N24O6S6 and a molecular weight of 3849.92 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
PubChem CID157088584
Molecular FormulaC240H340N24O6S6
Molecular Weight3849.92 g/mol
Exact Mass3846.54
IUPAC Name2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)c(C)s1.Cc1cc(C)cc(C)c1.Cc1cc(C)n(C)c1C.Cc1cc(C)nc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(-c2ccccc2)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/C13H14O.2C10H14.2C9H15N.2C9H12.C8H13N.2C8H11N.C8H12O.C8H12S.2C8H10.C7H12N2.2C7H10N2.C7H11N.2C7H9N.C7H10O.2C7H10S.C6H10N2.2C6H8N2.C6H9NO.C6H9NS.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;2*1-6-7(2)9(4)10(5)8(6)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-6-5-7(2)9(4)8(6)3;1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)9-8(3)5-6;2*1-5-6(2)8(4)9-7(5)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-6(2)9(4)7(3)8-5;1-5-4-8-6(2)7(3)9-5;1-5-4-6(2)8-9-7(5)3;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;3*1-5-4-6(2)8-7(5)3;1-5-4-7-6(2)8(5)3;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;2*1-4-5(2)8-6(3)7-4;2*1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h4-8H,1-3H3;2*5-6H,1-4H3;2*1-5H3;2*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;2*1-4H3;2*3-6H,1-2H3;1-4H3;2*4H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;2*3-4H,1-2H3;2*1-3H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyAEJRCMWYBWYPIE-UHFFFAOYSA-N
XLogP66.46
TPSA340.44 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds1
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003849.92
LogP ≤ 566.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene?
The IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene (CID 157088584) is 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene.
What is the SMILES notation for 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene?
The canonical SMILES for 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene is Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)c(C)s1.Cc1cc(C)cc(C)c1.Cc1cc(C)n(C)c1C.Cc1cc(C)nc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(-c2ccccc2)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene?
The InChIKey is AEJRCMWYBWYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.2C10H14.2C9H15N.2C9H12.C8H13N.2C8H11N.C8H12O.C8H12S.2C8H10.C7H12N2.2C7H10N2.C7H11N.2C7H9N.C7H10O.2C7H10S.C6H10N2.2C6H8N2.C6H9NO.C6H9NS.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12;1-7-5-9(3)10(4)6-8(7)2;1-7-5-6-8(2)10(4)9(7)3;2*1-6-7(2)9(4)10(5)8(6)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-6-5-7(2)9(4)8(6)3;1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)9-8(3)5-6;2*1-5-6(2)8(4)9-7(5)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-6(2)9(4)7(3)8-5;1-5-4-8-6(2)7(3)9-5;1-5-4-6(2)8-9-7(5)3;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;3*1-5-4-6(2)8-7(5)3;1-5-4-7-6(2)8(5)3;1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;2*1-4-5(2)8-6(3)7-4;2*1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h4-8H,1-3H3;2*5-6H,1-4H3;2*1-5H3;2*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;2*1-4H3;2*3-6H,1-2H3;1-4H3;2*4H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;2*3-4H,1-2H3;2*1-3H3;2*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene?
2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene has a molecular weight of 3849.92 g/mol, XLogP of 66.46, 1 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene is sourced from PubChem (CID 157088584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).