4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene

C164H266N14O20S5 — CID 159945063

IUPAC4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene
SMILESCC1=C(C)CC(=O)C=C1.CC1=C(C)N=CC1.C[C@@H]1COCC[C@@H]1C.C[C@@H]1CSCC[C@@H]1C.C[C@@H]1NC(=O)CO[C@@H]1C.C[C@@H]1NCCO[C@@H]1C.C[C@@H]1NCC[C@@H]1C.C[C@@H]1OC(=O)C[C@@H]1C.C[C@@H]1OCCC[C@@H]1C.C[C@@H]1OCCO[C@@H]1C.C[C@@H]1OCC[C@@H]1C.C[C@@H]1OCO[C@@H]1C.C[C@@H]1SCCC[C@@H]1C.C[C@@H]1SCC[C@@H]1C.Cc1c[nH]c(=O)cc1C.Cc1cc[nH]c1C.Cc1ccc(=O)oc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cncnc1C.Cc1coc(=O)cc1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C8H10O.C7H9NO.2C7H9N.2C7H8O2.2C7H14O.2C7H14S.2C6H8N2.C6H11NO2.C6H13NO.C6H13N.2C6H9N.C6H12O2.C6H10O2.C6H12O.C6H8O.C6H12S.C6H8S.C5H7NO.C5H7NS.C5H10O2/c1-6-3-4-8(9)5-7(6)2;1-5-3-7(9)8-4-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-4-5(2)9-3-6(8)7-4;1-5-6(2)8-4-3-7-5;3*1-5-3-4-7-6(5)2;1-5-6(2)8-4-3-7-5;1-4-3-6(7)8-5(4)2;4*1-5-3-4-7-6(5)2;3*1-4-5(2)7-3-6-4/h3-4H,5H2,1-2H3;3-4H,1-2H3,(H,8,9);2*3-5H,1-2H3;2*3-4H,1-2H3;4*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3,(H,7,8);5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;6-,7+;6-,7-;6-,7+;6-,7-;;;4-,5+;5-,6+;5-,6-;;;5-,6+;4-,5-;5-,6-;;5-,6-;;;;4-,5+/m......0000..000...00.0..../s1
InChIKeyOBJMINHIOLWZIZ-BHRHSCMASA-N
MW2914.34 g/mol
LogP37.49
Rot. Bonds

About 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene

4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene (PubChem CID 159945063) has the molecular formula C164H266N14O20S5 and a molecular weight of 2914.34 g/mol. Its IUPAC name is 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene.

Molecular Properties

Compound Name4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene
PubChem CID159945063
Molecular FormulaC164H266N14O20S5
Molecular Weight2914.34 g/mol
Exact Mass2911.88
IUPAC Name4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene
SMILESCC1=C(C)CC(=O)C=C1.CC1=C(C)N=CC1.C[C@@H]1COCC[C@@H]1C.C[C@@H]1CSCC[C@@H]1C.C[C@@H]1NC(=O)CO[C@@H]1C.C[C@@H]1NCCO[C@@H]1C.C[C@@H]1NCC[C@@H]1C.C[C@@H]1OC(=O)C[C@@H]1C.C[C@@H]1OCCC[C@@H]1C.C[C@@H]1OCCO[C@@H]1C.C[C@@H]1OCC[C@@H]1C.C[C@@H]1OCO[C@@H]1C.C[C@@H]1SCCC[C@@H]1C.C[C@@H]1SCC[C@@H]1C.Cc1c[nH]c(=O)cc1C.Cc1cc[nH]c1C.Cc1ccc(=O)oc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cncnc1C.Cc1coc(=O)cc1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C8H10O.C7H9NO.2C7H9N.2C7H8O2.2C7H14O.2C7H14S.2C6H8N2.C6H11NO2.C6H13NO.C6H13N.2C6H9N.C6H12O2.C6H10O2.C6H12O.C6H8O.C6H12S.C6H8S.C5H7NO.C5H7NS.C5H10O2/c1-6-3-4-8(9)5-7(6)2;1-5-3-7(9)8-4-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-4-5(2)9-3-6(8)7-4;1-5-6(2)8-4-3-7-5;3*1-5-3-4-7-6(5)2;1-5-6(2)8-4-3-7-5;1-4-3-6(7)8-5(4)2;4*1-5-3-4-7-6(5)2;3*1-4-5(2)7-3-6-4/h3-4H,5H2,1-2H3;3-4H,1-2H3,(H,8,9);2*3-5H,1-2H3;2*3-4H,1-2H3;4*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3,(H,7,8);5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;6-,7+;6-,7-;6-,7+;6-,7-;;;4-,5+;5-,6+;5-,6-;;;5-,6+;4-,5-;5-,6-;;5-,6-;;;;4-,5+/m......0000..000...00.0..../s1
InChIKeyOBJMINHIOLWZIZ-BHRHSCMASA-N
XLogP37.49
TPSA430.43 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002914.34
LogP ≤ 537.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
CID 159380635
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157112642
cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole
CID 157228387
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 157336614
1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157358559
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 157434557
bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157435254

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene?
The IUPAC name of 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene (CID 159945063) is 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene.
What is the SMILES notation for 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene?
The canonical SMILES for 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene is CC1=C(C)CC(=O)C=C1.CC1=C(C)N=CC1.C[C@@H]1COCC[C@@H]1C.C[C@@H]1CSCC[C@@H]1C.C[C@@H]1NC(=O)CO[C@@H]1C.C[C@@H]1NCCO[C@@H]1C.C[C@@H]1NCC[C@@H]1C.C[C@@H]1OC(=O)C[C@@H]1C.C[C@@H]1OCCC[C@@H]1C.C[C@@H]1OCCO[C@@H]1C.C[C@@H]1OCC[C@@H]1C.C[C@@H]1OCO[C@@H]1C.C[C@@H]1SCCC[C@@H]1C.C[C@@H]1SCC[C@@H]1C.Cc1c[nH]c(=O)cc1C.Cc1cc[nH]c1C.Cc1ccc(=O)oc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cncnc1C.Cc1coc(=O)cc1C.Cc1nccnc1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene?
The InChIKey is OBJMINHIOLWZIZ-BHRHSCMASA-N. The full InChI is InChI=1S/C8H10O.C7H9NO.2C7H9N.2C7H8O2.2C7H14O.2C7H14S.2C6H8N2.C6H11NO2.C6H13NO.C6H13N.2C6H9N.C6H12O2.C6H10O2.C6H12O.C6H8O.C6H12S.C6H8S.C5H7NO.C5H7NS.C5H10O2/c1-6-3-4-8(9)5-7(6)2;1-5-3-7(9)8-4-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-4-5(2)9-3-6(8)7-4;1-5-6(2)8-4-3-7-5;3*1-5-3-4-7-6(5)2;1-5-6(2)8-4-3-7-5;1-4-3-6(7)8-5(4)2;4*1-5-3-4-7-6(5)2;3*1-4-5(2)7-3-6-4/h3-4H,5H2,1-2H3;3-4H,1-2H3,(H,8,9);2*3-5H,1-2H3;2*3-4H,1-2H3;4*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3,(H,7,8);5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;4H,3H2,1-2H3;3-4,7H,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3H,1-2H3;4-5H,3H2,1-2H3/t;;;;;;6-,7+;6-,7-;6-,7+;6-,7-;;;4-,5+;5-,6+;5-,6-;;;5-,6+;4-,5-;5-,6-;;5-,6-;;;;4-,5+/m......0000..000...00.0..../s1.
What are the key properties of 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene?
4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene has a molecular weight of 2914.34 g/mol, XLogP of 37.49, 0 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene is sourced from PubChem (CID 159945063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).