1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)

C212H316ClF3N17O4S2+ — CID 158611817

IUPAC1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1Cl.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H23N.C14H22N2.C14H18N2.C11H15ClO.C11H15F2NO.C11H15F.C11H14O2.C10H16N.C10H15N.C10H14.3C9H13N.2C9H14S.2C9H14.2C8H14N2.2C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-5-7-11(4)8-6-9;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;2*4,6H,5H2,1-3H3/q;;;;;;;+1;;;;;;;;;;;;;
InChIKeyHWXRUPMPLJXHDZ-UHFFFAOYSA-N
MW3323.56 g/mol
LogP58.42
Rot. Bonds7

About 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)

1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) (PubChem CID 158611817) has the molecular formula C212H316ClF3N17O4S2+ and a molecular weight of 3323.56 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole).

Molecular Properties

Compound Name1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)
PubChem CID158611817
Molecular FormulaC212H316ClF3N17O4S2+
Molecular Weight3323.56 g/mol
Exact Mass3320.41
IUPAC Name1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1Cl.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H23N.C14H22N2.C14H18N2.C11H15ClO.C11H15F2NO.C11H15F.C11H14O2.C10H16N.C10H15N.C10H14.3C9H13N.2C9H14S.2C9H14.2C8H14N2.2C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-5-7-11(4)8-6-9;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;2*4,6H,5H2,1-3H3/q;;;;;;;+1;;;;;;;;;;;;;
InChIKeyHWXRUPMPLJXHDZ-UHFFFAOYSA-N
XLogP58.42
TPSA202.80 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003323.56
LogP ≤ 558.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-2-chloropyridine;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;4-(4-tert-butylphenyl)morpholine;5-tert-butylpyridin-2-amine;bis(3-tert-butylpyridine);4-(5-tert-butyl-2-pyridinyl)morpholine;bis(4-tert-butyl-2H-pyrrole)
CID 157562782
1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene
CID 158975884
1-benzyl-4-tert-butylpyrazole;bis(tert-butylbenzene);5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;3-tert-butyl-2-chloropyridine;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-5-methylthiophene;4-(4-tert-butylphenyl)morpholine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;bis(5-tert-butylpyrimidine);4-tert-butyl-2H-pyrrole
CID 163685847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)?
The IUPAC name of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) (CID 158611817) is 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole).
What is the SMILES notation for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)?
The canonical SMILES for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1Cl.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)?
The InChIKey is HWXRUPMPLJXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H18N2.C11H15ClO.C11H15F2NO.C11H15F.C11H14O2.C10H16N.C10H15N.C10H14.3C9H13N.2C9H14S.2C9H14.2C8H14N2.2C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-11(2,3)8-5-6-10(13-4)9(12)7-8;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-5-7-11(4)8-6-9;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;2*5-6H,1-4H3;2*4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;2*4,6H,5H2,1-3H3/q;;;;;;;+1;;;;;;;;;;;;;.
What are the key properties of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole)?
1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) has a molecular weight of 3323.56 g/mol, XLogP of 58.42, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;bis(2-tert-butylcyclopenta-1,3-diene);5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;4-tert-butyl-2-fluoro-1-methylbenzene;bis(4-tert-butyl-1-methylpyrazole);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;bis(4-tert-butyl-2H-pyrrole) is sourced from PubChem (CID 158611817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).