6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one

C79H130N6O6 — CID 158361706

About 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (PubChem CID 158361706) has the molecular formula C79H130N6O6 and a molecular weight of 1259.94 g/mol. Its IUPAC name is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one.

Molecular Properties

• Compound Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
• PubChem CID: 158361706
• Molecular Formula: C79H130N6O6
• Molecular Weight: 1259.94 g/mol
• Exact Mass: 1259.01
• IUPAC Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
• SMILES: C/C=C/C(=O)C(C)(C)C.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)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.Cc1ccn(C(C)(C)C)n1
• InChI: InChI=1S/2C10H16O.2C9H14N2.C9H14O.C9H16O.C8H14N2.C8H14O.C7H12O/c1-10(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;1-9(2,3)8(10)7-5-4-6-7;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/h5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;5H,4,6H2,1-3H3;6H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;5H,1H2,2-4H3/b;;;;;;;6-5+
• InChIKey: GTNVOXXFAHZBJA-VAKUFYBQSA-N
• XLogP: 20.64
• TPSA: 155.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1259.94
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', '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;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?

The IUPAC name of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (CID 158361706) is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one.

What is the SMILES notation for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?

The canonical SMILES for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one is C/C=C/C(=O)C(C)(C)C.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)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.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;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?

The InChIKey is GTNVOXXFAHZBJA-VAKUFYBQSA-N. The full InChI is InChI=1S/2C10H16O.2C9H14N2.C9H14O.C9H16O.C8H14N2.C8H14O.C7H12O/c1-10(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;1-9(2,3)8(10)7-5-4-6-7;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/h5,7-8H,4,6H2,1-3H3;6H,4-5,7H2,1-3H3;2*5-7H,1H2,2-4H3;5H,4,6H2,1-3H3;6H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;5H,1H2,2-4H3/b;;;;;;;6-5+;.

What are the key properties of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one has a molecular weight of 1259.94 g/mol, XLogP of 20.64, 7 rotatable bonds, 0 hydrogen bond donors, and 12 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;1-tert-butyl-3-methylpyrazole;1-(cyclobuten-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-2,2-dimethylhex-4-en-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one is sourced from PubChem (CID 158361706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).