5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one

C154H238N16O7S4 — CID 159230146

About 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one (PubChem CID 159230146) has the molecular formula C154H238N16O7S4 and a molecular weight of 2553.97 g/mol. Its IUPAC name is 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one
• PubChem CID: 159230146
• Molecular Formula: C154H238N16O7S4
• Molecular Weight: 2553.97 g/mol
• Exact Mass: 2551.76
• IUPAC Name: 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one
• SMILES: C#CC(C)C.C#Cc1cc(C(C)(C)C)sn1.C#Cc1ccn(C(C)(C)C)n1.C#Cc1nc(C(C)(C)C)cs1.C#Cc1ncc(C(C)(C)C)s1.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=Cc1ncc[nH]1.CC(C)(C)C1CC=CC(=O)C1.CC(C)(C)C1CCC=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)=CC(=O)C(C)(C)C.CC(C)C.Cc1ccn(C(C)(C)C)n1
• InChI: InChI=1S/C11H19NO.2C10H16O.C9H12N2.C9H14N2.C9H12N2.4C9H11NS.C9H16O.C8H14N2.C8H13NO.C8H14O.C7H12O.C6H12.C5H6N2.C5H8.C4H10/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;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;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-5-7-6-8(11-10-7)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;1-8(2,3)9-6-4-5-7(9)10;1-5-6-7(9)8(2,3)4;1-5-6(8)7(2,3)4;1-5-6(2,3)4;1-2-5-6-3-4-7-5;1-4-5(2)3;1-4(2)3/h5,9H,1,6-8H2,2-4H3;4,6,8H,5,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;4*1,6H,2-4H3;6H,1-5H3;5-6H,1-4H3;4-5H,6H2,1-3H3;5-6H,1-4H3;5H,1H2,2-4H3;5H,1H2,2-4H3;2-4H,1H2,(H,6,7);1,5H,2-3H3;4H,1-3H3/b;;;;;;;;;;;;;6-5+
• InChIKey: KSUHYIQRLMWHSP-WFNRVWCSSA-N
• XLogP: 38.28
• TPSA: 277.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2553.97
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one (CID 159230146) is 5-tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one is C#CC(C)C.C#Cc1cc(C(C)(C)C)sn1.C#Cc1ccn(C(C)(C)C)n1.C#Cc1nc(C(C)(C)C)cs1.C#Cc1ncc(C(C)(C)C)s1.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=Cc1ncc[nH]1.CC(C)(C)C1CC=CC(=O)C1.CC(C)(C)C1CCC=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)=CC(=O)C(C)(C)C.CC(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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one?

The InChIKey is KSUHYIQRLMWHSP-WFNRVWCSSA-N. The full InChI is InChI=1S/C11H19NO.2C10H16O.C9H12N2.C9H14N2.C9H12N2.4C9H11NS.C9H16O.C8H14N2.C8H13NO.C8H14O.C7H12O.C6H12.C5H6N2.C5H8.C4H10/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;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;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-5-7-6-8(11-10-7)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;1-8(2,3)9-6-4-5-7(9)10;1-5-6-7(9)8(2,3)4;1-5-6(8)7(2,3)4;1-5-6(2,3)4;1-2-5-6-3-4-7-5;1-4-5(2)3;1-4(2)3/h5,9H,1,6-8H2,2-4H3;4,6,8H,5,7H2,1-3H3;5,7-8H,4,6H2,1-3H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;4*1,6H,2-4H3;6H,1-5H3;5-6H,1-4H3;4-5H,6H2,1-3H3;5-6H,1-4H3;5H,1H2,2-4H3;5H,1H2,2-4H3;2-4H,1H2,(H,6,7);1,5H,2-3H3;4H,1-3H3/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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one has a molecular weight of 2553.97 g/mol, XLogP of 38.28, 6 rotatable bonds, 1 hydrogen bond donors, and 24 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-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;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-methylpyrazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one;3,3-dimethylbut-1-ene;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2-ethenyl-1H-imidazole;3-methylbut-1-yne;2-methylpropane;2,2,5-trimethylhex-4-en-3-one is sourced from PubChem (CID 159230146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).