1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

C248H384F3N19O18S4 — CID 160557699

IUPAC1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)C12CC(C1)C2.CC(C)C12CC3CC4CC(C1)C4(C3)C2.CC(C)C12CCC(O)(CC1)C2.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(F)C1.CC(C)C1CCCC1F.CC(C)C1CCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCOCC1F.CC(C)C1COC1.CC(C)c1ccc(-c2nnnn2C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nnnn2C)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(C(C)(C)O)s1.COc1cccc(C(C)C)c1
InChIInChI=1S/C14H22.2C12H14N2.2C11H14N4.C10H15NO2S.2C10H13NO.C10H11NS.C10H11N.C10H18O.C10H20O.2C10H14O.C9H13NO2S.C9H15NOS.C9H12O.C9H18O.C8H15FO.2C8H15F.3C8H16O.C8H14.C6H12O/c1-9(2)13-5-10-3-11-4-12(7-13)14(11,6-10)8-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-4-6-10(7-5-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-3-5-10(11,7-9)6-4-9;1-8(2)9-4-6-10(3,11)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-10-5-7(12-8)9(3,4)11;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-8(9)5-7;1-6(2)7-4-3-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8(7)9;1-6(2)8-3-7(4-8)5-8;1-5(2)6-3-7-4-6/h9-12H,3-8H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3,(H,13,14);2*4-8H,1-3H3;4-8,11H,1-3H3;2*3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;3-6,8H,1-2H3;8,11H,3-7H2,1-2H3;8-9,11H,4-7H2,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3,(H2,10,11,12);5-6,11H,1-4H3;3-7,10H,1-2H3;7-10H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQYXCAKHGZDCMOP-UHFFFAOYSA-N
MW4105.18 g/mol
LogP62.11
Rot. Bonds38

About 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 160557699) has the molecular formula C248H384F3N19O18S4 and a molecular weight of 4105.18 g/mol. Its IUPAC name is 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID160557699
Molecular FormulaC248H384F3N19O18S4
Molecular Weight4105.18 g/mol
Exact Mass4101.86
IUPAC Name1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)C12CC(C1)C2.CC(C)C12CC3CC4CC(C1)C4(C3)C2.CC(C)C12CCC(O)(CC1)C2.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(F)C1.CC(C)C1CCCC1F.CC(C)C1CCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCOCC1F.CC(C)C1COC1.CC(C)c1ccc(-c2nnnn2C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nnnn2C)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(C(C)(C)O)s1.COc1cccc(C(C)C)c1
InChIInChI=1S/C14H22.2C12H14N2.2C11H14N4.C10H15NO2S.2C10H13NO.C10H11NS.C10H11N.C10H18O.C10H20O.2C10H14O.C9H13NO2S.C9H15NOS.C9H12O.C9H18O.C8H15FO.2C8H15F.3C8H16O.C8H14.C6H12O/c1-9(2)13-5-10-3-11-4-12(7-13)14(11,6-10)8-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-4-6-10(7-5-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-3-5-10(11,7-9)6-4-9;1-8(2)9-4-6-10(3,11)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-10-5-7(12-8)9(3,4)11;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-8(9)5-7;1-6(2)7-4-3-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8(7)9;1-6(2)8-3-7(4-8)5-8;1-5(2)6-3-7-4-6/h9-12H,3-8H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3,(H,13,14);2*4-8H,1-3H3;4-8,11H,1-3H3;2*3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;3-6,8H,1-2H3;8,11H,3-7H2,1-2H3;8-9,11H,4-7H2,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3,(H2,10,11,12);5-6,11H,1-4H3;3-7,10H,1-2H3;7-10H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyQYXCAKHGZDCMOP-UHFFFAOYSA-N
XLogP62.11
TPSA563.54 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004105.18
LogP ≤ 562.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (CID 160557699) is 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is CC(C)C12CC(C1)C2.CC(C)C12CC3CC4CC(C1)C4(C3)C2.CC(C)C12CCC(O)(CC1)C2.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(F)C1.CC(C)C1CCCC1F.CC(C)C1CCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)C1CCOCC1F.CC(C)C1COC1.CC(C)c1ccc(-c2nnnn2C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nnnn2C)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ncc(C(C)(C)O)s1.COc1cccc(C(C)C)c1.
What is the InChIKey of 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is QYXCAKHGZDCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C12H14N2.2C11H14N4.C10H15NO2S.2C10H13NO.C10H11NS.C10H11N.C10H18O.C10H20O.2C10H14O.C9H13NO2S.C9H15NOS.C9H12O.C9H18O.C8H15FO.2C8H15F.3C8H16O.C8H14.C6H12O/c1-9(2)13-5-10-3-11-4-12(7-13)14(11,6-10)8-13;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-4-6-10(7-5-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-12-13-14-15(11)3;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-3-5-10(11,7-9)6-4-9;1-8(2)9-4-6-10(3,11)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-10-5-7(12-8)9(3,4)11;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-10-5-8(7)9;1-6(2)7-3-4-8(9)5-7;1-6(2)7-4-3-5-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8(7)9;1-6(2)8-3-7(4-8)5-8;1-5(2)6-3-7-4-6/h9-12H,3-8H2,1-2H3;3-10H,1-2H3;3-9H,1-2H3,(H,13,14);2*4-8H,1-3H3;4-8,11H,1-3H3;2*3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;3-6,8H,1-2H3;8,11H,3-7H2,1-2H3;8-9,11H,4-7H2,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3-7H,1-2H3,(H2,10,11,12);5-6,11H,1-4H3;3-7,10H,1-2H3;7-10H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 4105.18 g/mol, XLogP of 62.11, 38 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propan-2-ylcyclopentane;1-fluoro-3-propan-2-ylcyclopentane;3-fluoro-4-propan-2-yloxane;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexan-1-ol;1-methyl-5-(3-propan-2-ylphenyl)tetrazole;1-methyl-5-(4-propan-2-ylphenyl)tetrazole;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzonitrile;6-propan-2-yl-1,3-benzothiazole;4-propan-2-ylbicyclo[2.2.1]heptan-1-ol;1-propan-2-ylbicyclo[1.1.1]pentane;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylcyclopentan-1-ol;3-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-ylphenol;2-(3-propan-2-ylphenyl)-1H-imidazole;N-(3-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yltetracyclo[5.3.1.03,9.05,9]undecane;2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 160557699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).