3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)

C192H314N24O15S2 — CID 161102893

IUPAC3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CC1CC1.CC(=O)CC1CCCCC1.CC(=O)CCC1CC1.CC(C)(C)CC(=O)CC1CCCCC1.CC(C)(C)CC(=O)Cc1ccccc1.CC(C)(C)Cc1c(Nc2ccccc2)c(=O)c1=O.CC(C)(C)NC(=O)Nc1ccccc1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC(C)=O
InChIInChI=1S/C15H17NO2.C13H24O.C13H18O.C11H16N2O.2C11H14N2S.5C10H13N3O.C10H12N2O.C9H16O.C7H12O.C6H10O.C4H8O.4C4H10.8C2H6/c1-15(2,3)9-11-12(14(18)13(11)17)16-10-7-5-4-6-8-10;2*1-13(2,3)10-12(14)9-11-7-5-4-6-8-11;1-11(2,3)13-10(14)12-9-7-5-4-6-8-9;2*1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;5*1-10(2,3)13-9-12-7-5-4-6-11-8(7)14-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-8(10)7-9-5-3-2-4-6-9;1-6(8)2-3-7-4-5-7;1-5(7)4-6-2-3-6;1-3-4(2)5;4*1-4(2)3;8*1-2/h4-8,16H,9H2,1-3H3;11H,4-10H2,1-3H3;4-8H,9-10H2,1-3H3;4-8H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5*4-6H,1-3H3,(H,12,13);4-6H,1-3H3;9H,2-7H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3;3H2,1-2H3;4*4H,1-3H3;8*1-2H3
InChIKeyUIQXGOYDSGRWTQ-UHFFFAOYSA-N
MW3262.91 g/mol
LogP55.65
Rot. Bonds25

About 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)

3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) (PubChem CID 161102893) has the molecular formula C192H314N24O15S2 and a molecular weight of 3262.91 g/mol. Its IUPAC name is 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane).

Molecular Properties

Compound Name3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)
PubChem CID161102893
Molecular FormulaC192H314N24O15S2
Molecular Weight3262.91 g/mol
Exact Mass3260.40
IUPAC Name3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CC1CC1.CC(=O)CC1CCCCC1.CC(=O)CCC1CC1.CC(C)(C)CC(=O)CC1CCCCC1.CC(C)(C)CC(=O)Cc1ccccc1.CC(C)(C)Cc1c(Nc2ccccc2)c(=O)c1=O.CC(C)(C)NC(=O)Nc1ccccc1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC(C)=O
InChIInChI=1S/C15H17NO2.C13H24O.C13H18O.C11H16N2O.2C11H14N2S.5C10H13N3O.C10H12N2O.C9H16O.C7H12O.C6H10O.C4H8O.4C4H10.8C2H6/c1-15(2,3)9-11-12(14(18)13(11)17)16-10-7-5-4-6-8-10;2*1-13(2,3)10-12(14)9-11-7-5-4-6-8-11;1-11(2,3)13-10(14)12-9-7-5-4-6-8-9;2*1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;5*1-10(2,3)13-9-12-7-5-4-6-11-8(7)14-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-8(10)7-9-5-3-2-4-6-9;1-6(8)2-3-7-4-5-7;1-5(7)4-6-2-3-6;1-3-4(2)5;4*1-4(2)3;8*1-2/h4-8,16H,9H2,1-3H3;11H,4-10H2,1-3H3;4-8H,9-10H2,1-3H3;4-8H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5*4-6H,1-3H3,(H,12,13);4-6H,1-3H3;9H,2-7H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3;3H2,1-2H3;4*4H,1-3H3;8*1-2H3
InChIKeyUIQXGOYDSGRWTQ-UHFFFAOYSA-N
XLogP55.65
TPSA533.23 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003262.91
LogP ≤ 555.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) with MolForge

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Related Compounds

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671
2-[3-[3-(1,3-Benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;10-[3-[3-(9,9-dimethylacridin-10-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine
CID 157289302
CID 157420701
CID 157420701
2-[4-[5-[4-(1,3-benzothiazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzothiazole;2-[4-[5-[4-(1,3-benzoxazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzoxazole;bis(palladium(2+));bis(platinum(2+))
CID 157927483
2-[4-[5-[4-(1,3-benzothiazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzothiazole;2-[4-[5-[4-(1,3-benzoxazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzoxazole;2-[2-(1-methylbenzimidazol-2-yl)-5-[5-[4-(1-methylbenzimidazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-(1-methylindol-2-yl)-5-[5-[4-(1-methylindol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(platinum(2+))
CID 157975775
CID 158276311
CID 158276311
N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;1-(2-adamantyl)-3-pyridin-3-ylpropan-2-one;decakis(2,2-dimethylpropane);ethane
CID 158581768
CID 158708247
CID 158708247
3-Phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 158809104
2-[4-[3,5-Bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 158850391
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;bis(N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide)
CID 159023990
pentakis(N-tert-butyl-1,3-benzothiazol-2-amine);2-tert-butyl-1,3-benzothiazole;hexakis(N-tert-butyl-1,3-benzoxazol-2-amine);2-tert-butyl-1,3-benzoxazole;bis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;ethane;methane
CID 159184892

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)?
The IUPAC name of 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) (CID 161102893) is 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane).
What is the SMILES notation for 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)?
The canonical SMILES for 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) is CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)CC1CC1.CC(=O)CC1CCCCC1.CC(=O)CCC1CC1.CC(C)(C)CC(=O)CC1CCCCC1.CC(C)(C)CC(=O)Cc1ccccc1.CC(C)(C)Cc1c(Nc2ccccc2)c(=O)c1=O.CC(C)(C)NC(=O)Nc1ccccc1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)Nc1nc2cccnc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC(C)=O.
What is the InChIKey of 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)?
The InChIKey is UIQXGOYDSGRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C13H24O.C13H18O.C11H16N2O.2C11H14N2S.5C10H13N3O.C10H12N2O.C9H16O.C7H12O.C6H10O.C4H8O.4C4H10.8C2H6/c1-15(2,3)9-11-12(14(18)13(11)17)16-10-7-5-4-6-8-10;2*1-13(2,3)10-12(14)9-11-7-5-4-6-8-11;1-11(2,3)13-10(14)12-9-7-5-4-6-8-9;2*1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;5*1-10(2,3)13-9-12-7-5-4-6-11-8(7)14-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-8(10)7-9-5-3-2-4-6-9;1-6(8)2-3-7-4-5-7;1-5(7)4-6-2-3-6;1-3-4(2)5;4*1-4(2)3;8*1-2/h4-8,16H,9H2,1-3H3;11H,4-10H2,1-3H3;4-8H,9-10H2,1-3H3;4-8H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5*4-6H,1-3H3,(H,12,13);4-6H,1-3H3;9H,2-7H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3;3H2,1-2H3;4*4H,1-3H3;8*1-2H3.
What are the key properties of 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane)?
3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) has a molecular weight of 3262.91 g/mol, XLogP of 55.65, 25 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(2,2-dimethylpropyl)cyclobut-3-ene-1,2-dione;butan-2-one;bis(N-tert-butyl-1,3-benzothiazol-2-amine);pentakis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;1-tert-butyl-3-phenylurea;1-cyclohexyl-4,4-dimethylpentan-2-one;1-cyclohexylpropan-2-one;4-cyclopropylbutan-2-one;1-cyclopropylpropan-2-one;4,4-dimethyl-1-phenylpentan-2-one;ethane;tetrakis(2-methylpropane) is sourced from PubChem (CID 161102893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).