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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium

C81H126N7O5ReS- — CID 159037047

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium (PubChem CID 159037047) has the molecular formula C81H126N7O5ReS- and a molecular weight of 1496.22 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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium.

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium
• PubChem CID: 159037047
• Molecular Formula: C81H126N7O5ReS-
• Molecular Weight: 1496.22 g/mol
• Exact Mass: 1495.91
• 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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium
• SMILES: C#Cc1nc(C(C)(C)C)cs1.C=CC(=O)C(C)(C)C.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.CC(C)(C)n1cc[c-]n1.[Re]
• InChI: InChI=1S/C11H18O.2C10H16O.2C9H14N2.C9H11NS.C9H14O.C7H11N2.C7H12O.Re/c1-11(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;1-9(2,3)8(10)7-5-4-6-7;1-7(2,3)9-6-4-5-8-9;1-5-6(8)7(2,3)4;/h7H,4-6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;1,6H,2-4H3;5H,4,6H2,1-3H3;4,6H,1-3H3;5H,1H2,2-4H3;/q;;;;;;;-1
• InChIKey: DTOXMKHPGOWHKW-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 151.70 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1496.22
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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 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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium?

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium (CID 159037047) 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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium.

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium?

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium is C#Cc1nc(C(C)(C)C)cs1.C=CC(=O)C(C)(C)C.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.CC(C)(C)n1cc[c-]n1.[Re].

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium?

The InChIKey is DTOXMKHPGOWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.2C10H16O.2C9H14N2.C9H11NS.C9H14O.C7H11N2.C7H12O.Re/c1-11(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;1-9(2,3)8(10)7-5-4-6-7;1-7(2,3)9-6-4-5-8-9;1-5-6(8)7(2,3)4;/h7H,4-6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;1,6H,2-4H3;5H,4,6H2,1-3H3;4,6H,1-3H3;5H,1H2,2-4H3;/q;;;;;;;-1;;.

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium?

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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium has a molecular weight of 1496.22 g/mol, XLogP of 20.91, 6 rotatable bonds, 0 hydrogen bond donors, and 13 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;1-tert-butyl-3H-pyrazol-3-ide;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;4,4-dimethylpent-1-en-3-one;rhenium is sourced from PubChem (CID 159037047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).