bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one

C205H346F2N10O13 — CID 159725904

IUPACbis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CC1CCC(O)CC1.CC(C)(C)C(=O)CC1CCC1.CC(C)(C)C(=O)CCC1CC1.CC(C)(C)C(=O)CCC1CCCCC1.CC(C)(C)C(=O)N1CC[C@@H](F)C1.CC(C)(C)C(=O)N1CC[C@H](F)C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1C1CC1.CC(C)(C)n1cccc1.CC(CC(=O)C(C)(C)C)C1CC1.CC1CCC(CC(=O)C(C)(C)C)CC1.CCCC(=O)C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C
InChIInChI=1S/2C13H24O.C12H22O2.C11H17N.C11H20O.C10H16N2.C10H15N.2C10H18O.2C10H14.2C9H16FNO.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O.C8H16O/c1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;1-12(2,3)11(14)8-9-4-6-10(13)7-5-9;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8(9-5-6-9)7-10(12)11(2,3)4;1-10(2,3)8-6-11-12-9(8)7-4-5-7;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9(11)7-6-8-4-5-8;1-10(2,3)9(11)7-8-5-4-6-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8(12)11-5-4-7(10)6-11;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-5-6-7(9)8(2,3)4/h10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;2*8H,4-7H2,1-3H3;2*4-8H,1-3H3;2*7H,4-6H2,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;5-6H2,1-4H3/t;;;;;;;;;;;2*7-;;;;;;;;/m...........10......../s1
InChIKeyNAPXRMZKLSBHFT-XULSBJRKSA-N
MW3197.08 g/mol
LogP56.03
Rot. Bonds18

About bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one

bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one (PubChem CID 159725904) has the molecular formula C205H346F2N10O13 and a molecular weight of 3197.08 g/mol. Its IUPAC name is bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Namebis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one
PubChem CID159725904
Molecular FormulaC205H346F2N10O13
Molecular Weight3197.08 g/mol
Exact Mass3194.67
IUPAC Namebis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CC1CCC(O)CC1.CC(C)(C)C(=O)CC1CCC1.CC(C)(C)C(=O)CCC1CC1.CC(C)(C)C(=O)CCC1CCCCC1.CC(C)(C)C(=O)N1CC[C@@H](F)C1.CC(C)(C)C(=O)N1CC[C@H](F)C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1C1CC1.CC(C)(C)n1cccc1.CC(CC(=O)C(C)(C)C)C1CC1.CC1CCC(CC(=O)C(C)(C)C)CC1.CCCC(=O)C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C
InChIInChI=1S/2C13H24O.C12H22O2.C11H17N.C11H20O.C10H16N2.C10H15N.2C10H18O.2C10H14.2C9H16FNO.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O.C8H16O/c1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;1-12(2,3)11(14)8-9-4-6-10(13)7-5-9;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8(9-5-6-9)7-10(12)11(2,3)4;1-10(2,3)8-6-11-12-9(8)7-4-5-7;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9(11)7-6-8-4-5-8;1-10(2,3)9(11)7-8-5-4-6-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8(12)11-5-4-7(10)6-11;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-5-6-7(9)8(2,3)4/h10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;2*8H,4-7H2,1-3H3;2*4-8H,1-3H3;2*7H,4-6H2,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;5-6H2,1-4H3/t;;;;;;;;;;;2*7-;;;;;;;;/m...........10......../s1
InChIKeyNAPXRMZKLSBHFT-XULSBJRKSA-N
XLogP56.03
TPSA307.64 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003197.08
LogP ≤ 556.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The IUPAC name of bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one (CID 159725904) is bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The canonical SMILES for bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CC1CCC(O)CC1.CC(C)(C)C(=O)CC1CCC1.CC(C)(C)C(=O)CCC1CC1.CC(C)(C)C(=O)CCC1CCCCC1.CC(C)(C)C(=O)N1CC[C@@H](F)C1.CC(C)(C)C(=O)N1CC[C@H](F)C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cn[nH]c1C1CC1.CC(C)(C)n1cccc1.CC(CC(=O)C(C)(C)C)C1CC1.CC1CCC(CC(=O)C(C)(C)C)CC1.CCCC(=O)C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C.
What is the InChIKey of bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The InChIKey is NAPXRMZKLSBHFT-XULSBJRKSA-N. The full InChI is InChI=1S/2C13H24O.C12H22O2.C11H17N.C11H20O.C10H16N2.C10H15N.2C10H18O.2C10H14.2C9H16FNO.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O.C8H16O/c1-10-5-7-11(8-6-10)9-12(14)13(2,3)4;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;1-12(2,3)11(14)8-9-4-6-10(13)7-5-9;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8(9-5-6-9)7-10(12)11(2,3)4;1-10(2,3)8-6-11-12-9(8)7-4-5-7;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9(11)7-6-8-4-5-8;1-10(2,3)9(11)7-8-5-4-6-8;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8(12)11-5-4-7(10)6-11;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-5-6-7(9)8(2,3)4/h10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;2*8H,4-7H2,1-3H3;2*4-8H,1-3H3;2*7H,4-6H2,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;5-6H2,1-4H3/t;;;;;;;;;;;2*7-;;;;;;;;/m...........10......../s1.
What are the key properties of bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one has a molecular weight of 3197.08 g/mol, XLogP of 56.03, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);4-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one;1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-hydroxycyclohexyl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 159725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).