5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one

C128H201N13O6S2 — CID 157238485

About 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one

5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one (PubChem CID 157238485) has the molecular formula C128H201N13O6S2 and a molecular weight of 2082.23 g/mol. Its IUPAC name is 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one.

Molecular Properties

• Compound Name: 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one
• PubChem CID: 157238485
• Molecular Formula: C128H201N13O6S2
• Molecular Weight: 2082.23 g/mol
• Exact Mass: 2080.53
• IUPAC Name: 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one
• SMILES: C#CC(C)C.C#Cc1ccn(C(C)(C)C)n1.C#Cc1nc(C(C)(C)C)cs1.C#Cc1nccn1C(C)(C)C.C#Cc1nscc1C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(C)(C)C.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C1CC=CC(=O)C1.CC(C)(C)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.Cc1ccn(C(C)(C)C)n1
• InChI: InChI=1S/C11H19NO.2C10H16O.C9H14N2.C9H12N2.C9H14N2.C9H12N2.2C9H11NS.C9H16O.C8H14N2.C8H14O.C7H12O.C6H12.C5H8/c1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;2*1-5-8-10-6-7-11(8)9(2,3)4;2*1-5-8-6-7-11(10-8)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-7(2)6-8(10)9(3,4)5;1-7-5-6-10(9-7)8(2,3)4;1-5-6-7(9)8(2,3)4;1-5-6(8)7(2,3)4;1-5-6(2,3)4;1-4-5(2)3/h5,9H,1,6-8H2,2-4H3;4,6,8H,5,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;2*1,6H,2-4H3;6H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;5H,1H2,2-4H3;5H,1H2,2-4H3;1,5H,2-3H3/b;;;;;;;;;;;6-5+
• InChIKey: AUXSSPHKRJWEMU-VTQXJPHOSA-N
• XLogP: 31.82
• TPSA: 220.54 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.23
LogP ≤ 5	31.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one?

The IUPAC name of 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one (CID 157238485) is 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one.

What is the SMILES notation for 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one?

The canonical SMILES for 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one is C#CC(C)C.C#Cc1ccn(C(C)(C)C)n1.C#Cc1nc(C(C)(C)C)cs1.C#Cc1nccn1C(C)(C)C.C#Cc1nscc1C(C)(C)C.C/C=C/C(=O)C(C)(C)C.C=CC(=O)C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(C)(C)C.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C1CC=CC(=O)C1.CC(C)(C)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.Cc1ccn(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one?

The InChIKey is AUXSSPHKRJWEMU-VTQXJPHOSA-N. The full InChI is InChI=1S/C11H19NO.2C10H16O.C9H14N2.C9H12N2.C9H14N2.C9H12N2.2C9H11NS.C9H16O.C8H14N2.C8H14O.C7H12O.C6H12.C5H8/c1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;2*1-5-8-10-6-7-11(8)9(2,3)4;2*1-5-8-6-7-11(10-8)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-7(2)6-8(10)9(3,4)5;1-7-5-6-10(9-7)8(2,3)4;1-5-6-7(9)8(2,3)4;1-5-6(8)7(2,3)4;1-5-6(2,3)4;1-4-5(2)3/h5,9H,1,6-8H2,2-4H3;4,6,8H,5,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;2*1,6H,2-4H3;6H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;5H,1H2,2-4H3;5H,1H2,2-4H3;1,5H,2-3H3/b;;;;;;;;;;;6-5+;;;.

What are the key properties of 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one?

5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one has a molecular weight of 2082.23 g/mol, XLogP of 31.82, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;3-methylbut-1-yne;2,2,5-trimethylhex-4-en-3-one is sourced from PubChem (CID 157238485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).