4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine

C196H318Cl2F6N14O3S12 — CID 157129088

IUPAC4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)c1cc2c(s1)CCC2.CC(C)(C)c1cc2c(s1)CCCC2.CC(C)(C)c1cc2c(s1)CCCN2.CC(C)(C)c1cc2c(s1)CCCO2.CC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CCOC2.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(F)(F)F)s1.CC(C)(C)c1nc2c(s1)CCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCNC1
InChIInChI=1S/C13H21N.C12H18S.3C11H17NS.C11H19NS.2C11H16OS.C11H16S.C10H12Cl2.C10H12F3N.C10H16N2S.C10H15NOS.C10H15NS.C9H19N.C8H10F3NS.C8H17N.C7H15N.3C4H10/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-7-8-5-4-6-9(8)12-10;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-11-7-5-4-6-8(7)12-9;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)5-4-12-6(13-5)8(9,10)11;1-8(2,3)7-4-5-9-6-7;1-6(2)7-3-4-8-5-7;3*1-4(2)3/h7-9H,1-6H3;8H,4-7H2,1-3H3;6,12H,4-5,7H2,1-3H3;7,12H,4-6H2,1-3H3;4-7H2,1-3H3;7H,1-6H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;11H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;8,10H,4-7H2,1-3H3;4H,1-3H3;7,9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3
InChIKeyAIVRQJVMQRQDME-UHFFFAOYSA-N
MW3488.49 g/mol
LogP59.37
Rot. Bonds1

About 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine

4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine (PubChem CID 157129088) has the molecular formula C196H318Cl2F6N14O3S12 and a molecular weight of 3488.49 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine
PubChem CID157129088
Molecular FormulaC196H318Cl2F6N14O3S12
Molecular Weight3488.49 g/mol
Exact Mass3484.11
IUPAC Name4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)c1cc2c(s1)CCC2.CC(C)(C)c1cc2c(s1)CCCC2.CC(C)(C)c1cc2c(s1)CCCN2.CC(C)(C)c1cc2c(s1)CCCO2.CC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CCOC2.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(F)(F)F)s1.CC(C)(C)c1nc2c(s1)CCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCNC1
InChIInChI=1S/C13H21N.C12H18S.3C11H17NS.C11H19NS.2C11H16OS.C11H16S.C10H12Cl2.C10H12F3N.C10H16N2S.C10H15NOS.C10H15NS.C9H19N.C8H10F3NS.C8H17N.C7H15N.3C4H10/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-7-8-5-4-6-9(8)12-10;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-11-7-5-4-6-8(7)12-9;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)5-4-12-6(13-5)8(9,10)11;1-8(2,3)7-4-5-9-6-7;1-6(2)7-3-4-8-5-7;3*1-4(2)3/h7-9H,1-6H3;8H,4-7H2,1-3H3;6,12H,4-5,7H2,1-3H3;7,12H,4-6H2,1-3H3;4-7H2,1-3H3;7H,1-6H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;11H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;8,10H,4-7H2,1-3H3;4H,1-3H3;7,9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3
InChIKeyAIVRQJVMQRQDME-UHFFFAOYSA-N
XLogP59.37
TPSA202.99 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds1
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003488.49
LogP ≤ 559.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2-methylpropane
CID 161070402

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine?
The IUPAC name of 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine (CID 157129088) is 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine?
The canonical SMILES for 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine is CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)c1cc2c(s1)CCC2.CC(C)(C)c1cc2c(s1)CCCC2.CC(C)(C)c1cc2c(s1)CCCN2.CC(C)(C)c1cc2c(s1)CCCO2.CC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CCOC2.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(F)(F)F)s1.CC(C)(C)c1nc2c(s1)CCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCNC1.
What is the InChIKey of 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine?
The InChIKey is AIVRQJVMQRQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C12H18S.3C11H17NS.C11H19NS.2C11H16OS.C11H16S.C10H12Cl2.C10H12F3N.C10H16N2S.C10H15NOS.C10H15NS.C9H19N.C8H10F3NS.C8H17N.C7H15N.3C4H10/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-7-8-5-4-6-9(8)12-10;1-10(2,3)7-4-5-8(11)9(12)6-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-11-7-5-4-6-8(7)12-9;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)5-4-12-6(13-5)8(9,10)11;1-8(2,3)7-4-5-9-6-7;1-6(2)7-3-4-8-5-7;3*1-4(2)3/h7-9H,1-6H3;8H,4-7H2,1-3H3;6,12H,4-5,7H2,1-3H3;7,12H,4-6H2,1-3H3;4-7H2,1-3H3;7H,1-6H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;11H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;8,10H,4-7H2,1-3H3;4H,1-3H3;7,9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3.
What are the key properties of 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine?
4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine has a molecular weight of 3488.49 g/mol, XLogP of 59.37, 1 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dichlorobenzene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2-tert-butyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-5H-thieno[3,2-b]pyran;2-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyran;4-tert-butylpiperidine;3-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)-1,3-thiazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;tris(2-methylpropane);3-propan-2-ylpyrrolidine is sourced from PubChem (CID 157129088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).