6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one

C95H147N9O5S2 — CID 159573164

About 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 159573164) has the molecular formula C95H147N9O5S2 and a molecular weight of 1559.41 g/mol. Its IUPAC name is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one
• PubChem CID: 159573164
• Molecular Formula: C95H147N9O5S2
• Molecular Weight: 1559.41 g/mol
• Exact Mass: 1558.10
• IUPAC Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one
• SMILES: C#Cc1nc(C(C)(C)C)cs1.C#Cc1nscc1C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C(=O)C1=CCC1.CC(C)(C)C(=O)C1=CCCC1.CC(C)(C)C(=O)C1=CCCCC1.CC(C)(C)C1CCC=CC1=O.Cc1ccn(C(C)(C)C)n1
• InChI: InChI=1S/C11H19NO.C11H18O.2C10H16O.2C9H14N2.2C9H11NS.C9H14O.C8H14N2/c1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9(11)8-6-4-5-7-8;1-5-8-10-6-7-11(8)9(2,3)4;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;1-9(2,3)8(10)7-5-4-6-7;1-7-5-6-10(9-7)8(2,3)4/h5,9H,1,6-8H2,2-4H3;7H,4-6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;2*1,6H,2-4H3;5H,4,6H2,1-3H3;5-6H,1-4H3
• InChIKey: MIBQNBZTMWEANH-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 167.83 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.41
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one?

The IUPAC name of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one (CID 159573164) is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one.

What is the SMILES notation for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one?

The canonical SMILES for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one is C#Cc1nc(C(C)(C)C)cs1.C#Cc1nscc1C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C(=O)C1=CCC1.CC(C)(C)C(=O)C1=CCCC1.CC(C)(C)C(=O)C1=CCCCC1.CC(C)(C)C1CCC=CC1=O.Cc1ccn(C(C)(C)C)n1.

What is the InChIKey of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one?

The InChIKey is MIBQNBZTMWEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C11H18O.2C10H16O.2C9H14N2.2C9H11NS.C9H14O.C8H14N2/c1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9(11)8-6-4-5-7-8;1-5-8-10-6-7-11(8)9(2,3)4;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;1-9(2,3)8(10)7-5-4-6-7;1-7-5-6-10(9-7)8(2,3)4/h5,9H,1,6-8H2,2-4H3;7H,4-6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;2*1,6H,2-4H3;5H,4,6H2,1-3H3;5-6H,1-4H3.

What are the key properties of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one?

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 1559.41 g/mol, XLogP of 24.12, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;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;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159573164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).