tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)

C215H312N14O4S4 — CID 162109424

About tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)

tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (PubChem CID 162109424) has the molecular formula C215H312N14O4S4 and a molecular weight of 3285.22 g/mol. Its IUPAC name is tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

Molecular Properties

• Compound Name: tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• PubChem CID: 162109424
• Molecular Formula: C215H312N14O4S4
• Molecular Weight: 3285.22 g/mol
• Exact Mass: 3282.35
• IUPAC Name: tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1=CC=CCC1=O.CC(C)C1=CN=CC1.CC(C)C1CCCC1.CC(C)c1cc[nH]c1.CC(C)c1cc[nH]c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1OCC2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1nccs1
• InChI: InChI=1S/C12H17N.C12H14.3C11H13N.C11H14O.C10H20.C9H12O.2C9H12.C8H13N.2C8H11N.C8H16O.C8H12O.C8H16.C7H10N2.4C7H11N.3C7H10S.C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10(2,3)9-7-5-4-6-8-9;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-5-8-3-4-9-7;3*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-7,9H,8H2,1-2H3;3*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;9H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3;2*3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4-6H,3H2,1-2H3;3*3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: ZFYJRDIDPBDZTB-UHFFFAOYSA-N
• XLogP: 65.46
• TPSA: 244.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3285.22
LogP ≤ 5	65.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The IUPAC name of tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) (CID 162109424) is tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene).

What is the SMILES notation for tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The canonical SMILES for tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is CC(C)(C)C1=CCC=N1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOC1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)C1=CC=CCC1=O.CC(C)C1=CN=CC1.CC(C)C1CCCC1.CC(C)c1cc[nH]c1.CC(C)c1cc[nH]c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1OCC2.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1nccs1.

What is the InChIKey of tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

The InChIKey is ZFYJRDIDPBDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H14.3C11H13N.C11H14O.C10H20.C9H12O.2C9H12.C8H13N.2C8H11N.C8H16O.C8H12O.C8H16.C7H10N2.4C7H11N.3C7H10S.C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10(2,3)9-7-5-4-6-8-9;1-7(2)8-5-3-4-6-9(8)10;2*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-5-8-3-4-9-7;3*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-7,9H,8H2,1-2H3;3*3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;9H,4-8H2,1-3H3;3-5,7H,6H2,1-2H3;2*3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4-6H,3H2,1-2H3;3*3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)?

tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) has a molecular weight of 3285.22 g/mol, XLogP of 65.46, 20 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene) is sourced from PubChem (CID 162109424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).