tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane

C230H401N35O3S2 — CID 159170236

IUPACtert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnc1.CN1Cc2c(cccc2C(C)(C)C)C1=O.CN1Cc2cc(C(C)(C)C)ccc2C1=O.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1cn(C)nc1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)nc1C(C)(C)C.Cc1sc(C)c(C(C)(C)C)c1C.Cn1cc(C(C)(C)C)nn1.Cn1nccc1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/2C13H17NO.C13H19N.C11H18S.3C10H18N2.C10H14.2C9H16N2.C9H15NS.3C9H13N.C8H15N3.2C8H12N2.C8H14N2.C8H12N2.C8H13NO.2C7H13N3.12C2H6/c1-13(2,3)10-5-6-11-9(7-10)8-14(4)12(11)15;1-13(2,3)11-7-5-6-9-10(11)8-14(4)12(9)15;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-7-8(2)12-9(3)10(7)11(4,5)6;2*1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)8(2)12(6)11-7;1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-11(5)10-8(7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-7(8(2,3)4)10-11(5)9-6;2*1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-6-5-10-9-7(6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-9-10(6)4;12*1-2/h2*5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4*1-6H3;4-8H,1-3H3;2*6H,1-5H3;1-5H3;3*4-7H,1-3H3;1-5H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*5H,1-4H3;12*1-2H3
InChIKeyKLPCLXRKVKTYFJ-UHFFFAOYSA-N
MW3769.11 g/mol
LogP61.56
Rot. Bonds

About tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane

tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane (PubChem CID 159170236) has the molecular formula C230H401N35O3S2 and a molecular weight of 3769.11 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane
PubChem CID159170236
Molecular FormulaC230H401N35O3S2
Molecular Weight3769.11 g/mol
Exact Mass3766.17
IUPAC Nametert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnc1.CN1Cc2c(cccc2C(C)(C)C)C1=O.CN1Cc2cc(C(C)(C)C)ccc2C1=O.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1cn(C)nc1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)nc1C(C)(C)C.Cc1sc(C)c(C(C)(C)C)c1C.Cn1cc(C(C)(C)C)nn1.Cn1nccc1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/2C13H17NO.C13H19N.C11H18S.3C10H18N2.C10H14.2C9H16N2.C9H15NS.3C9H13N.C8H15N3.2C8H12N2.C8H14N2.C8H12N2.C8H13NO.2C7H13N3.12C2H6/c1-13(2,3)10-5-6-11-9(7-10)8-14(4)12(11)15;1-13(2,3)11-7-5-6-9-10(11)8-14(4)12(9)15;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-7-8(2)12-9(3)10(7)11(4,5)6;2*1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)8(2)12(6)11-7;1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-11(5)10-8(7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-7(8(2,3)4)10-11(5)9-6;2*1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-6-5-10-9-7(6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-9-10(6)4;12*1-2/h2*5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4*1-6H3;4-8H,1-3H3;2*6H,1-5H3;1-5H3;3*4-7H,1-3H3;1-5H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*5H,1-4H3;12*1-2H3
InChIKeyKLPCLXRKVKTYFJ-UHFFFAOYSA-N
XLogP61.56
TPSA397.84 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003769.11
LogP ≤ 561.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane (CID 159170236) is tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnc1.CN1Cc2c(cccc2C(C)(C)C)C1=O.CN1Cc2cc(C(C)(C)C)ccc2C1=O.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1cn(C)nc1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1ncn(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1nn(C)nc1C(C)(C)C.Cc1sc(C)c(C(C)(C)C)c1C.Cn1cc(C(C)(C)C)nn1.Cn1nccc1C(C)(C)C.Cn1nncc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane?
The InChIKey is KLPCLXRKVKTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.C13H19N.C11H18S.3C10H18N2.C10H14.2C9H16N2.C9H15NS.3C9H13N.C8H15N3.2C8H12N2.C8H14N2.C8H12N2.C8H13NO.2C7H13N3.12C2H6/c1-13(2,3)10-5-6-11-9(7-10)8-14(4)12(11)15;1-13(2,3)11-7-5-6-9-10(11)8-14(4)12(9)15;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-7-8(2)12-9(3)10(7)11(4,5)6;2*1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)8(2)12(6)11-7;1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)11(5)6-10-7;1-7-6-11(5)10-8(7)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-7(8(2,3)4)10-11(5)9-6;2*1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-6-5-10-9-7(6)8(2,3)4;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-5-8-9-10(6)4;12*1-2/h2*5-7H,8H2,1-4H3;5-7H,8-9H2,1-4H3;4*1-6H3;4-8H,1-3H3;2*6H,1-5H3;1-5H3;3*4-7H,1-3H3;1-5H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*5H,1-4H3;12*1-2H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane?
tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane has a molecular weight of 3769.11 g/mol, XLogP of 61.56, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane is sourced from PubChem (CID 159170236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).