tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane

C173H242ClF2N15O9 — CID 157290797

About tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane (PubChem CID 157290797) has the molecular formula C173H242ClF2N15O9 and a molecular weight of 2749.38 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane.

Molecular Properties

• Compound Name: tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane
• PubChem CID: 157290797
• Molecular Formula: C173H242ClF2N15O9
• Molecular Weight: 2749.38 g/mol
• Exact Mass: 2746.86
• IUPAC Name: tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane
• SMILES: CC.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1cc2c(cc1Cl)OCO2.CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.Cn1nccc1C(C)(C)C
• InChI: InChI=1S/C19H31N3.C17H22N2.C16H24N2O.C16H25N.C12H14O.C11H13ClO2.C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C10H14.2C9H13N.C8H14N2.C2H6/c1-19(2,3)16-4-6-17(7-5-16)21-12-8-18(9-13-21)22-14-10-20-11-15-22;1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)7-4-9-10(5-8(7)12)14-6-13-9;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;1-2/h4-7,18,20H,8-15H2,1-3H3;4-6,10-11,18-19H,7-9H2,1-3H3;5-8H,9-12H2,1-4H3;5-6,11,13,17H,7-10H2,1-4H3;4-8H,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;1-2H3
• InChIKey: BATWQKDZLZLSTM-UHFFFAOYSA-N
• XLogP: 42.70
• TPSA: 248.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2749.38
LogP ≤ 5	42.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane?

The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane (CID 157290797) is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane.

What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane?

The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane is CC.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1cc2c(cc1Cl)OCO2.CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.Cn1nccc1C(C)(C)C.

What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane?

The InChIKey is BATWQKDZLZLSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3.C17H22N2.C16H24N2O.C16H25N.C12H14O.C11H13ClO2.C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C10H14.2C9H13N.C8H14N2.C2H6/c1-19(2,3)16-4-6-17(7-5-16)21-12-8-18(9-13-21)22-14-10-20-11-15-22;1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)7-4-9-10(5-8(7)12)14-6-13-9;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;1-2/h4-7,18,20H,8-15H2,1-3H3;4-6,10-11,18-19H,7-9H2,1-3H3;5-8H,9-12H2,1-4H3;5-6,11,13,17H,7-10H2,1-4H3;4-8H,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;1-2H3.

What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane?

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane has a molecular weight of 2749.38 g/mol, XLogP of 42.70, 5 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane is sourced from PubChem (CID 157290797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).