tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

C285H419N43O11S5 — CID 158043073

IUPACtert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/4C11H14N2.2C11H13NO.C11H13NS.2C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h3*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3
InChIKeyFIOXYKBLADTGPX-UHFFFAOYSA-N
MW4784.11 g/mol
LogP74.64
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (PubChem CID 158043073) has the molecular formula C285H419N43O11S5 and a molecular weight of 4784.11 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
PubChem CID158043073
Molecular FormulaC285H419N43O11S5
Molecular Weight4784.11 g/mol
Exact Mass4780.22
IUPAC Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/4C11H14N2.2C11H13NO.C11H13NS.2C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h3*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3
InChIKeyFIOXYKBLADTGPX-UHFFFAOYSA-N
XLogP74.64
TPSA646.82 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004784.11
LogP ≤ 574.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Analyze tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (CID 158043073) is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The InChIKey is FIOXYKBLADTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H14N2.2C11H13NO.C11H13NS.2C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h3*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene has a molecular weight of 4784.11 g/mol, XLogP of 74.64, 0 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is sourced from PubChem (CID 158043073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).