1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one

C157H293N13O30 — CID 159579708

IUPAC1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)CC(C)CO.CC(C)CC(=O)CC1CCCCC1.CC(C)CC(=O)CC1COC1.CC(C)CC(=O)CCC(=O)N1CCOCC1.CC(C)CC(=O)CCC(C)(C)O.CC(C)CC(=O)CCC1CCCCC1.CC(C)CC(=O)CCCO.CC(C)CC(=O)N(C)CCO.CC(C)CC(=O)N1CCC(O)C(O)C1.CC(C)CC(=O)N1CCCC(O)C1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)N1CCOC(CO)C1.CC(C)CC(=O)N1CCn2ncnc2C1.COCCCC(=O)CC(C)C.[C-]#[N+]CCC(=O)CC(C)C
InChIInChI=1S/C13H24O.C12H21NO3.C12H22O.C10H16N4O.2C10H19NO3.C10H19NO2.C10H19NO.C10H20O2.C9H16N2O2.C9H16O2.2C9H18O2.C8H17NO2.C8H13NO.C8H16O2/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-10(2)9-11(14)3-4-12(15)13-5-7-16-8-6-13;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)5-10(15)13-3-4-14-9(6-13)11-7-12-14;1-8(2)5-10(13)11-3-4-14-9(6-11)7-12;1-7(2)5-10(14)11-4-3-8(12)9(13)6-11;1-8(2)6-10(13)11-5-3-4-9(12)7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)5-6-10(3,4)12;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)3-9(10)4-8-5-11-6-8;1-7(2)4-9(11)5-8(3)6-10;1-8(2)7-9(10)5-4-6-11-3;1-7(2)6-8(11)9(3)4-5-10;1-7(2)6-8(10)4-5-9-3;1-7(2)6-8(10)4-3-5-9/h11-12H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;7-9,12-13H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8,12H,5-7H2,1-4H3;7H,3-6H2,1-2H3,(H,10,12);7-8H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7,10H,4-6H2,1-3H3;7H,4-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyMIVXKVXOGBDDKX-UHFFFAOYSA-N
MW2843.13 g/mol
LogP23.94
Rot. Bonds60

About 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one

1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one (PubChem CID 159579708) has the molecular formula C157H293N13O30 and a molecular weight of 2843.13 g/mol. Its IUPAC name is 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one
PubChem CID159579708
Molecular FormulaC157H293N13O30
Molecular Weight2843.13 g/mol
Exact Mass2841.18
IUPAC Name1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)CC(C)CO.CC(C)CC(=O)CC1CCCCC1.CC(C)CC(=O)CC1COC1.CC(C)CC(=O)CCC(=O)N1CCOCC1.CC(C)CC(=O)CCC(C)(C)O.CC(C)CC(=O)CCC1CCCCC1.CC(C)CC(=O)CCCO.CC(C)CC(=O)N(C)CCO.CC(C)CC(=O)N1CCC(O)C(O)C1.CC(C)CC(=O)N1CCCC(O)C1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)N1CCOC(CO)C1.CC(C)CC(=O)N1CCn2ncnc2C1.COCCCC(=O)CC(C)C.[C-]#[N+]CCC(=O)CC(C)C
InChIInChI=1S/C13H24O.C12H21NO3.C12H22O.C10H16N4O.2C10H19NO3.C10H19NO2.C10H19NO.C10H20O2.C9H16N2O2.C9H16O2.2C9H18O2.C8H17NO2.C8H13NO.C8H16O2/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-10(2)9-11(14)3-4-12(15)13-5-7-16-8-6-13;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)5-10(15)13-3-4-14-9(6-13)11-7-12-14;1-8(2)5-10(13)11-3-4-14-9(6-11)7-12;1-7(2)5-10(14)11-4-3-8(12)9(13)6-11;1-8(2)6-10(13)11-5-3-4-9(12)7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)5-6-10(3,4)12;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)3-9(10)4-8-5-11-6-8;1-7(2)4-9(11)5-8(3)6-10;1-8(2)7-9(10)5-4-6-11-3;1-7(2)6-8(11)9(3)4-5-10;1-7(2)6-8(10)4-5-9-3;1-7(2)6-8(10)4-3-5-9/h11-12H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;7-9,12-13H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8,12H,5-7H2,1-4H3;7H,3-6H2,1-2H3,(H,10,12);7-8H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7,10H,4-6H2,1-3H3;7H,4-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyMIVXKVXOGBDDKX-UHFFFAOYSA-N
XLogP23.94
TPSA579.04 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds60
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.13
LogP ≤ 523.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one (CID 159579708) is 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one is CC(C)CC(=O)CC(C)CO.CC(C)CC(=O)CC1CCCCC1.CC(C)CC(=O)CC1COC1.CC(C)CC(=O)CCC(=O)N1CCOCC1.CC(C)CC(=O)CCC(C)(C)O.CC(C)CC(=O)CCC1CCCCC1.CC(C)CC(=O)CCCO.CC(C)CC(=O)N(C)CCO.CC(C)CC(=O)N1CCC(O)C(O)C1.CC(C)CC(=O)N1CCCC(O)C1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)N1CCOC(CO)C1.CC(C)CC(=O)N1CCn2ncnc2C1.COCCCC(=O)CC(C)C.[C-]#[N+]CCC(=O)CC(C)C.
What is the InChIKey of 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is MIVXKVXOGBDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C12H21NO3.C12H22O.C10H16N4O.2C10H19NO3.C10H19NO2.C10H19NO.C10H20O2.C9H16N2O2.C9H16O2.2C9H18O2.C8H17NO2.C8H13NO.C8H16O2/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12;1-10(2)9-11(14)3-4-12(15)13-5-7-16-8-6-13;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-8(2)5-10(15)13-3-4-14-9(6-13)11-7-12-14;1-8(2)5-10(13)11-3-4-14-9(6-11)7-12;1-7(2)5-10(14)11-4-3-8(12)9(13)6-11;1-8(2)6-10(13)11-5-3-4-9(12)7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)5-6-10(3,4)12;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)3-9(10)4-8-5-11-6-8;1-7(2)4-9(11)5-8(3)6-10;1-8(2)7-9(10)5-4-6-11-3;1-7(2)6-8(11)9(3)4-5-10;1-7(2)6-8(10)4-5-9-3;1-7(2)6-8(10)4-3-5-9/h11-12H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;7-9,12-13H,3-6H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8,12H,5-7H2,1-4H3;7H,3-6H2,1-2H3,(H,10,12);7-8H,3-6H2,1-2H3;7-8,10H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7,10H,4-6H2,1-3H3;7H,4-6H2,1-2H3;7,9H,3-6H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one?
1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one has a molecular weight of 2843.13 g/mol, XLogP of 23.94, 60 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methylhexan-3-one;1-cyclohexyl-4-methylpentan-2-one;1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(3,4-dihydroxypiperidin-1-yl)-3-methylbutan-1-one;1-hydroxy-2,6-dimethylheptan-4-one;7-hydroxy-2,7-dimethyloctan-4-one;N-(2-hydroxyethyl)-N,3-dimethylbutanamide;1-hydroxy-6-methylheptan-4-one;1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylbutan-1-one;1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one;1-isocyano-5-methylhexan-3-one;1-methoxy-6-methylheptan-4-one;4-(3-methylbutanoyl)piperazin-2-one;6-methyl-1-morpholin-4-ylheptane-1,4-dione;4-methyl-1-(oxetan-3-yl)pentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 159579708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).