1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one

C198H309F3N4O24S2 — CID 159437564

IUPAC1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one
SMILESCC(C)(C)CC(=O)C12CCC(CC1)CC2.CC(C)(C)CC(=O)C1CCC(C)(F)CC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)c1ccoc1.CC(C)(C)CC(=O)c1cocn1.CC(C)(C)CC(=O)c1nccs1.CC(C)CC(=O)C1(C)CCOC1.CC(C)CC(=O)C1CCCO1.CC(C)CC(=O)C1CCOC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1ccccc1F.CC1CCC(C(=O)CC(C)(C)C)CC1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1F.Cc1csc(C(=O)CC(C)(C)C)n1.Cc1nc(C(=O)CC(C)(C)C)co1
InChIInChI=1S/C14H24O.C13H23FO.C13H24O.C12H15FO.2C12H16O.2C12H22O.C11H13FO.C11H14O.C10H15NO2.C10H15NOS.C10H14O2.C10H18O2.C9H13NO2.C9H13NOS.2C9H16O2/c1-13(2,3)10-12(15)14-7-4-11(5-8-14)6-9-14;1-12(2,3)9-11(15)10-5-7-13(4,14)8-6-10;1-10-5-7-11(8-6-10)12(14)9-13(2,3)4;1-8(2)7-11(14)10-6-4-5-9(3)12(10)13;2*1-9(2)7-12(13)11-6-4-5-10(3)8-11;2*1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7-11-8(6-13-7)9(12)5-10(2,3)4;1-7-6-13-9(11-7)8(12)5-10(2,3)4;1-10(2,3)6-9(11)8-4-5-12-7-8;1-8(2)6-9(11)10(3)4-5-12-7-10;1-9(2,3)4-8(11)7-5-12-6-10-7;1-9(2,3)6-7(11)8-10-4-5-12-8;1-7(2)5-9(10)8-3-4-11-6-8;1-7(2)6-8(10)9-4-3-5-11-9/h11H,4-10H2,1-3H3;10H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*10H,4-9H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*6H,5H2,1-4H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;7-8H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyLRTPDVVRMQEJME-UHFFFAOYSA-N
MW3250.78 g/mol
LogP53.69
Rot. Bonds44

About 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one

1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one (PubChem CID 159437564) has the molecular formula C198H309F3N4O24S2 and a molecular weight of 3250.78 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one
PubChem CID159437564
Molecular FormulaC198H309F3N4O24S2
Molecular Weight3250.78 g/mol
Exact Mass3248.25
IUPAC Name1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one
SMILESCC(C)(C)CC(=O)C12CCC(CC1)CC2.CC(C)(C)CC(=O)C1CCC(C)(F)CC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)c1ccoc1.CC(C)(C)CC(=O)c1cocn1.CC(C)(C)CC(=O)c1nccs1.CC(C)CC(=O)C1(C)CCOC1.CC(C)CC(=O)C1CCCO1.CC(C)CC(=O)C1CCOC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1ccccc1F.CC1CCC(C(=O)CC(C)(C)C)CC1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1F.Cc1csc(C(=O)CC(C)(C)C)n1.Cc1nc(C(=O)CC(C)(C)C)co1
InChIInChI=1S/C14H24O.C13H23FO.C13H24O.C12H15FO.2C12H16O.2C12H22O.C11H13FO.C11H14O.C10H15NO2.C10H15NOS.C10H14O2.C10H18O2.C9H13NO2.C9H13NOS.2C9H16O2/c1-13(2,3)10-12(15)14-7-4-11(5-8-14)6-9-14;1-12(2,3)9-11(15)10-5-7-13(4,14)8-6-10;1-10-5-7-11(8-6-10)12(14)9-13(2,3)4;1-8(2)7-11(14)10-6-4-5-9(3)12(10)13;2*1-9(2)7-12(13)11-6-4-5-10(3)8-11;2*1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7-11-8(6-13-7)9(12)5-10(2,3)4;1-7-6-13-9(11-7)8(12)5-10(2,3)4;1-10(2,3)6-9(11)8-4-5-12-7-8;1-8(2)6-9(11)10(3)4-5-12-7-10;1-9(2,3)4-8(11)7-5-12-6-10-7;1-9(2,3)6-7(11)8-10-4-5-12-8;1-7(2)5-9(10)8-3-4-11-6-8;1-7(2)6-8(10)9-4-3-5-11-9/h11H,4-10H2,1-3H3;10H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*10H,4-9H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*6H,5H2,1-4H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;7-8H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyLRTPDVVRMQEJME-UHFFFAOYSA-N
XLogP53.69
TPSA425.93 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003250.78
LogP ≤ 553.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one?
The IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one (CID 159437564) is 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one.
What is the SMILES notation for 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one?
The canonical SMILES for 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one is CC(C)(C)CC(=O)C12CCC(CC1)CC2.CC(C)(C)CC(=O)C1CCC(C)(F)CC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)C1CCCCC1.CC(C)(C)CC(=O)c1ccoc1.CC(C)(C)CC(=O)c1cocn1.CC(C)(C)CC(=O)c1nccs1.CC(C)CC(=O)C1(C)CCOC1.CC(C)CC(=O)C1CCCO1.CC(C)CC(=O)C1CCOC1.CC(C)CC(=O)c1ccccc1.CC(C)CC(=O)c1ccccc1F.CC1CCC(C(=O)CC(C)(C)C)CC1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1.Cc1cccc(C(=O)CC(C)C)c1F.Cc1csc(C(=O)CC(C)(C)C)n1.Cc1nc(C(=O)CC(C)(C)C)co1.
What is the InChIKey of 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one?
The InChIKey is LRTPDVVRMQEJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.C13H23FO.C13H24O.C12H15FO.2C12H16O.2C12H22O.C11H13FO.C11H14O.C10H15NO2.C10H15NOS.C10H14O2.C10H18O2.C9H13NO2.C9H13NOS.2C9H16O2/c1-13(2,3)10-12(15)14-7-4-11(5-8-14)6-9-14;1-12(2,3)9-11(15)10-5-7-13(4,14)8-6-10;1-10-5-7-11(8-6-10)12(14)9-13(2,3)4;1-8(2)7-11(14)10-6-4-5-9(3)12(10)13;2*1-9(2)7-12(13)11-6-4-5-10(3)8-11;2*1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7-11-8(6-13-7)9(12)5-10(2,3)4;1-7-6-13-9(11-7)8(12)5-10(2,3)4;1-10(2,3)6-9(11)8-4-5-12-7-8;1-8(2)6-9(11)10(3)4-5-12-7-10;1-9(2,3)4-8(11)7-5-12-6-10-7;1-9(2,3)6-7(11)8-10-4-5-12-8;1-7(2)5-9(10)8-3-4-11-6-8;1-7(2)6-8(10)9-4-3-5-11-9/h11H,4-10H2,1-3H3;10H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;4-6,8H,7H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;2*10H,4-9H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*6H,5H2,1-4H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;7-8H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3.
What are the key properties of 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one?
1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one has a molecular weight of 3250.78 g/mol, XLogP of 53.69, 44 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.2]octanyl)-3,3-dimethylbutan-1-one;bis(1-cyclohexyl-3,3-dimethylbutan-1-one);3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one;3,3-dimethyl-1-(2-methyl-1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-one;3,3-dimethyl-1-(1,3-oxazol-4-yl)butan-1-one;3,3-dimethyl-1-(1,3-thiazol-2-yl)butan-1-one;1-(4-fluoro-4-methylcyclohexyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-3-methylphenyl)-3-methylbutan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-one;1-(furan-3-yl)-3,3-dimethylbutan-1-one;3-methyl-1-(3-methyloxolan-3-yl)butan-1-one;bis(3-methyl-1-(3-methylphenyl)butan-1-one);3-methyl-1-(oxolan-2-yl)butan-1-one;3-methyl-1-(oxolan-3-yl)butan-1-one;3-methyl-1-phenylbutan-1-one is sourced from PubChem (CID 159437564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).