2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane

C214H456F6N12O31S9 — CID 157318893

IUPAC2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane
SMILESCC(=O)CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)O.CC(C)C1(C(F)(F)F)CC1.CC(C)C1=CCOCC1.CC(C)C1=CCSCC1.CC(C)C1CCOCC1.CC(C)C1CCSCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)COC(C)C.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)NS(=O)(=O)C(C)C.CC(C)OC(C)(C)CO.CC(C)OCC(F)(F)F.CC(C)S(=O)(=O)CC#N.CC(C)S(=O)(=O)N(C)C.CNS(=O)(=O)C(C)C.COC(C)(C)C(C)C.COCC(C)(C)OC(C)C.COCCOC(C)C.COCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21N.C9H20.C8H17N.C8H18O2.C8H16O.C8H14O.C8H16S.C8H14S.2C8H18.C7H11F3.C7H15NO2S.C7H15NO.C7H15N.C7H13N.C7H16O2.2C7H16O.2C7H16.C6H13NO2S.C6H15NO2S.C6H11NO2.C6H14O3S.C6H14O2.C6H14O.C6H12O.C5H9F3O.C5H13NO2S.C5H9NO2S.C4H11NO2S/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)6-7-9(3,4)5;1-8(2)9-6-4-3-5-7-9;1-7(2)10-8(3,4)6-9-5;4*1-7(2)8-3-5-9-6-4-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-5(2)6(3-4-6)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7(3,4)5-8;1-6(2)9-7(3,4)5-8;1-6(2)7(3,4)8-5;1-6(2)5-8-7(3)4;2*1-6(2)5-7(3)4;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-10(8,9)6(3)4;1-5(2)7-3-4-9-6(7)8;1-6(2)10(7,8)5-4-9-3;1-6(2)8-5-4-7-3;1-5(2)6(3,4)7;1-5(2)4-6(3)7;1-4(2)9-3-5(6,7)8;1-5(2)9(7,8)6(3)4;1-5(2)9(7,8)4-3-6;1-4(2)8(6,7)5-3/h9H,5-8H2,1-4H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;2*6-7H,5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,1-4H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;5,7H,1-4H3;5H,4H2,1-3H3;4H,3H2,1-2H3;5H,1-4H3;5H,4H2,1-2H3;4-5H,1-3H3
InChIKeyBDXXDMQZQOKTPJ-UHFFFAOYSA-N
MW4096.65 g/mol
LogP52.71
Rot. Bonds57

About 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane

2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane (PubChem CID 157318893) has the molecular formula C214H456F6N12O31S9 and a molecular weight of 4096.65 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane
PubChem CID157318893
Molecular FormulaC214H456F6N12O31S9
Molecular Weight4096.65 g/mol
Exact Mass4093.19
IUPAC Name2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane
SMILESCC(=O)CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)O.CC(C)C1(C(F)(F)F)CC1.CC(C)C1=CCOCC1.CC(C)C1=CCSCC1.CC(C)C1CCOCC1.CC(C)C1CCSCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)COC(C)C.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)NS(=O)(=O)C(C)C.CC(C)OC(C)(C)CO.CC(C)OCC(F)(F)F.CC(C)S(=O)(=O)CC#N.CC(C)S(=O)(=O)N(C)C.CNS(=O)(=O)C(C)C.COC(C)(C)C(C)C.COCC(C)(C)OC(C)C.COCCOC(C)C.COCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21N.C9H20.C8H17N.C8H18O2.C8H16O.C8H14O.C8H16S.C8H14S.2C8H18.C7H11F3.C7H15NO2S.C7H15NO.C7H15N.C7H13N.C7H16O2.2C7H16O.2C7H16.C6H13NO2S.C6H15NO2S.C6H11NO2.C6H14O3S.C6H14O2.C6H14O.C6H12O.C5H9F3O.C5H13NO2S.C5H9NO2S.C4H11NO2S/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)6-7-9(3,4)5;1-8(2)9-6-4-3-5-7-9;1-7(2)10-8(3,4)6-9-5;4*1-7(2)8-3-5-9-6-4-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-5(2)6(3-4-6)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7(3,4)5-8;1-6(2)9-7(3,4)5-8;1-6(2)7(3,4)8-5;1-6(2)5-8-7(3)4;2*1-6(2)5-7(3)4;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-10(8,9)6(3)4;1-5(2)7-3-4-9-6(7)8;1-6(2)10(7,8)5-4-9-3;1-6(2)8-5-4-7-3;1-5(2)6(3,4)7;1-5(2)4-6(3)7;1-4(2)9-3-5(6,7)8;1-5(2)9(7,8)6(3)4;1-5(2)9(7,8)4-3-6;1-4(2)8(6,7)5-3/h9H,5-8H2,1-4H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;2*6-7H,5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,1-4H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;5,7H,1-4H3;5H,4H2,1-3H3;4H,3H2,1-2H3;5H,1-4H3;5H,4H2,1-2H3;4-5H,1-3H3
InChIKeyBDXXDMQZQOKTPJ-UHFFFAOYSA-N
XLogP52.71
TPSA531.13 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds57
Heavy Atoms272
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004096.65
LogP ≤ 552.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The IUPAC name of 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane (CID 157318893) is 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane.
What is the SMILES notation for 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The canonical SMILES for 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane is CC(=O)CC(C)C.CC(C)C(C)(C)C#N.CC(C)C(C)(C)O.CC(C)C1(C(F)(F)F)CC1.CC(C)C1=CCOCC1.CC(C)C1=CCSCC1.CC(C)C1CCOCC1.CC(C)C1CCSCC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)COC(C)C.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.CC(C)NS(=O)(=O)C(C)C.CC(C)OC(C)(C)CO.CC(C)OCC(F)(F)F.CC(C)S(=O)(=O)CC#N.CC(C)S(=O)(=O)N(C)C.CNS(=O)(=O)C(C)C.COC(C)(C)C(C)C.COCC(C)(C)OC(C)C.COCCOC(C)C.COCCS(=O)(=O)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
The InChIKey is BDXXDMQZQOKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20.C8H17N.C8H18O2.C8H16O.C8H14O.C8H16S.C8H14S.2C8H18.C7H11F3.C7H15NO2S.C7H15NO.C7H15N.C7H13N.C7H16O2.2C7H16O.2C7H16.C6H13NO2S.C6H15NO2S.C6H11NO2.C6H14O3S.C6H14O2.C6H14O.C6H12O.C5H9F3O.C5H13NO2S.C5H9NO2S.C4H11NO2S/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)6-7-9(3,4)5;1-8(2)9-6-4-3-5-7-9;1-7(2)10-8(3,4)6-9-5;4*1-7(2)8-3-5-9-6-4-8;1-7(2)6-8(3,4)5;1-7(2)5-6-8(3)4;1-5(2)6(3-4-6)7(8,9)10;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7(3,4)5-8;1-6(2)9-7(3,4)5-8;1-6(2)7(3,4)8-5;1-6(2)5-8-7(3)4;2*1-6(2)5-7(3)4;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-10(8,9)6(3)4;1-5(2)7-3-4-9-6(7)8;1-6(2)10(7,8)5-4-9-3;1-6(2)8-5-4-7-3;1-5(2)6(3,4)7;1-5(2)4-6(3)7;1-4(2)9-3-5(6,7)8;1-5(2)9(7,8)6(3)4;1-5(2)9(7,8)4-3-6;1-4(2)8(6,7)5-3/h9H,5-8H2,1-4H3;8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5H,3-4H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-4H3;6,8H,5H2,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;2*6-7H,5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,1-4H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;5,7H,1-4H3;5H,4H2,1-3H3;4H,3H2,1-2H3;5H,1-4H3;5H,4H2,1-2H3;4-5H,1-3H3.
What are the key properties of 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane?
2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane has a molecular weight of 4096.65 g/mol, XLogP of 52.71, 57 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ol;2,5-dimethylhexane;bis(2,4-dimethylpentane);N,N-dimethylpropane-2-sulfonamide;4,4-dimethyl-1-propan-2-ylpiperidine;2-methoxy-2,3-dimethylbutane;2-(2-methoxyethoxy)propane;2-(2-methoxyethylsulfonyl)propane;1-methoxy-2-methyl-2-propan-2-yloxypropane;4-methylpentan-2-one;N-methylpropane-2-sulfonamide;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropan-1-ol;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-thiopyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;3-propan-2-yl-1,3-oxazolidin-2-one;1-propan-2-ylpiperidine;N-propan-2-ylpropane-2-sulfonamide;1-propan-2-ylpyrrolidine;2-propan-2-ylsulfonylacetonitrile;4-propan-2-ylthiane;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2-(2,2,2-trifluoroethoxy)propane;2,2,3-trimethylbutanenitrile;2,2,5-trimethylhexane;2,2,4-trimethylpentane is sourced from PubChem (CID 157318893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).