(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene

C288H399N37O5S8 — CID 161377365

IUPAC(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
SMILESC/C=C\C.CC1=C(C)CCC1.CC1=C(C)CCCCC1.CC1=C(C)COC1.CC1CC1C.CC1CCC1C.CC1CCCC1C.CC1CCCCC1C.Cc1[nH]c2ccccc2c1C.Cc1c2ccccc2nn1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2n1C.Cc1cc2ccncc2cc1C.Cc1cc2nc[nH]c2cc1C.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnn(C)c1.Cc1cnoc1C.Cc1conc1C.Cc1cscc1C.Cc1nc[nH]c1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1sc2c(c1C)CCC2.Cc1sc2ccccc2c1C
InChIInChI=1S/C12H12S.C12H12.C11H11N.2C10H11N.C10H10S.2C9H10N2.C9H12S.C9H16.C8H16.C8H10.4C7H9N.C7H14.C7H12.3C6H8N2.C6H9N.C6H10O.C6H8O.3C6H8S.C6H12.7C5H8N2.3C5H7NO.2C5H7NS.C5H10.C4H8/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-7-9-5-3-4-6-10(9)11(8)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-6-3-8-9(4-7(6)2)11-5-10-8;1-7-8-5-3-4-6-9(8)10-11(7)2;1-6-7(2)10-9-5-3-4-8(6)9;1-8-6-4-3-5-7-9(8)2;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-6-4-3-5-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-4-6(5)2;1-5-3-6-7(2)4-5;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;4*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-5(4)2;1-3-4-2/h3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;3-5H2,1-2H3;3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;6-7H,3-5H2,1-2H3;3-5H2,1-2H3;3*3-4H,1-2H3;3-4,7H,1-2H3;3-4H2,1-2H3;4*3-4H,1-2H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);5*3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4-3-
InChIKeyVRGDAOHZVLLMOR-QYYYSUPBSA-N
MW4716.15 g/mol
LogP80.75
Rot. Bonds1

About (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene

(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene (PubChem CID 161377365) has the molecular formula C288H399N37O5S8 and a molecular weight of 4716.15 g/mol. Its IUPAC name is (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene.

Molecular Properties

Compound Name(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
PubChem CID161377365
Molecular FormulaC288H399N37O5S8
Molecular Weight4716.15 g/mol
Exact Mass4711.99
IUPAC Name(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
SMILESC/C=C\C.CC1=C(C)CCC1.CC1=C(C)CCCCC1.CC1=C(C)COC1.CC1CC1C.CC1CCC1C.CC1CCCC1C.CC1CCCCC1C.Cc1[nH]c2ccccc2c1C.Cc1c2ccccc2nn1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2n1C.Cc1cc2ccncc2cc1C.Cc1cc2nc[nH]c2cc1C.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnn(C)c1.Cc1cnoc1C.Cc1conc1C.Cc1cscc1C.Cc1nc[nH]c1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1sc2c(c1C)CCC2.Cc1sc2ccccc2c1C
InChIInChI=1S/C12H12S.C12H12.C11H11N.2C10H11N.C10H10S.2C9H10N2.C9H12S.C9H16.C8H16.C8H10.4C7H9N.C7H14.C7H12.3C6H8N2.C6H9N.C6H10O.C6H8O.3C6H8S.C6H12.7C5H8N2.3C5H7NO.2C5H7NS.C5H10.C4H8/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-7-9-5-3-4-6-10(9)11(8)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-6-3-8-9(4-7(6)2)11-5-10-8;1-7-8-5-3-4-6-9(8)10-11(7)2;1-6-7(2)10-9-5-3-4-8(6)9;1-8-6-4-3-5-7-9(8)2;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-6-4-3-5-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-4-6(5)2;1-5-3-6-7(2)4-5;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;4*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-5(4)2;1-3-4-2/h3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;3-5H2,1-2H3;3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;6-7H,3-5H2,1-2H3;3-5H2,1-2H3;3*3-4H,1-2H3;3-4,7H,1-2H3;3-4H2,1-2H3;4*3-4H,1-2H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);5*3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4-3-
InChIKeyVRGDAOHZVLLMOR-QYYYSUPBSA-N
XLogP80.75
TPSA530.08 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds1
Heavy Atoms338
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004716.15
LogP ≤ 580.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene?
The IUPAC name of (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene (CID 161377365) is (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene.
What is the SMILES notation for (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene?
The canonical SMILES for (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene is C/C=C\C.CC1=C(C)CCC1.CC1=C(C)CCCCC1.CC1=C(C)COC1.CC1CC1C.CC1CCC1C.CC1CCCC1C.CC1CCCCC1C.Cc1[nH]c2ccccc2c1C.Cc1c2ccccc2nn1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc2ccccc2cc1C.Cc1cc2ccccc2n1C.Cc1cc2ccncc2cc1C.Cc1cc2nc[nH]c2cc1C.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnn(C)c1.Cc1cnoc1C.Cc1conc1C.Cc1cscc1C.Cc1nc[nH]c1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1sc2c(c1C)CCC2.Cc1sc2ccccc2c1C.
What is the InChIKey of (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene?
The InChIKey is VRGDAOHZVLLMOR-QYYYSUPBSA-N. The full InChI is InChI=1S/C12H12S.C12H12.C11H11N.2C10H11N.C10H10S.2C9H10N2.C9H12S.C9H16.C8H16.C8H10.4C7H9N.C7H14.C7H12.3C6H8N2.C6H9N.C6H10O.C6H8O.3C6H8S.C6H12.7C5H8N2.3C5H7NO.2C5H7NS.C5H10.C4H8/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-5-10-3-4-12-7-11(10)6-9(8)2;1-8-7-9-5-3-4-6-10(9)11(8)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-6-3-8-9(4-7(6)2)11-5-10-8;1-7-8-5-3-4-6-9(8)10-11(7)2;1-6-7(2)10-9-5-3-4-8(6)9;1-8-6-4-3-5-7-9(8)2;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-6-4-3-5-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-4-6(5)2;1-5-3-6-7(2)4-5;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;4*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-5(4)2;1-3-4-2/h3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;3-5H2,1-2H3;3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;6-7H,3-5H2,1-2H3;3-5H2,1-2H3;3*3-4H,1-2H3;3-4,7H,1-2H3;3-4H2,1-2H3;4*3-4H,1-2H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);5*3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4-3-.
What are the key properties of (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene?
(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene has a molecular weight of 4716.15 g/mol, XLogP of 80.75, 1 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene is sourced from PubChem (CID 161377365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).