6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane

C83H135F2N11O7S — CID 157474373

About 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane (PubChem CID 157474373) has the molecular formula C83H135F2N11O7S and a molecular weight of 1469.13 g/mol. Its IUPAC name is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane.

Molecular Properties

• Compound Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane
• PubChem CID: 157474373
• Molecular Formula: C83H135F2N11O7S
• Molecular Weight: 1469.13 g/mol
• Exact Mass: 1468.02
• IUPAC Name: 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane
• SMILES: C#Cc1nccn1C(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C=CC(=O)C(C)(C)C.C=CS(=O)(=O)C(C)(C)C.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C1CCC=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)(C)N1CCC=CC1=O.CC(C)(C)n1ccc(F)n1
• InChI: InChI=1S/C10H16O.C9H16FNO.C9H14N2.C9H12N2.C9H14N2.C9H15NO.C8H13NO.C7H11FN2.C7H12O.C6H12O2S/c1-10(2,3)8-6-4-5-7-9(8)11;1-6(7(2)10)8(12)11-9(3,4)5;2*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)10-7-5-4-6-8(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)10-5-4-6(8)9-10;1-5-6(8)7(2,3)4;1-5-9(7,8)6(2,3)4/h5,7-8H,4,6H2,1-3H3;1-5H3,(H,11,12);5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;4,6H,5,7H2,1-3H3;4-5H,6H2,1-3H3;4-5H,1-3H3;5H,1H2,2-4H3;5H,1H2,2-4H3/b;7-6-
• InChIKey: BVKJPKIRTXDWBI-KDLGCWBRSA-N
• XLogP: 18.58
• TPSA: 209.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.13
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	1
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-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane?

The IUPAC name of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane (CID 157474373) is 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane.

What is the SMILES notation for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane?

The canonical SMILES for 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane is C#Cc1nccn1C(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C=CC(=O)C(C)(C)C.C=CS(=O)(=O)C(C)(C)C.C=Cc1ccn(C(C)(C)C)n1.C=Cc1nccn1C(C)(C)C.CC(C)(C)C1CCC=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)(C)N1CCC=CC1=O.CC(C)(C)n1ccc(F)n1.

What is the InChIKey of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane?

The InChIKey is BVKJPKIRTXDWBI-KDLGCWBRSA-N. The full InChI is InChI=1S/C10H16O.C9H16FNO.C9H14N2.C9H12N2.C9H14N2.C9H15NO.C8H13NO.C7H11FN2.C7H12O.C6H12O2S/c1-10(2,3)8-6-4-5-7-9(8)11;1-6(7(2)10)8(12)11-9(3,4)5;2*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)10-7-5-4-6-8(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)10-5-4-6(8)9-10;1-5-6(8)7(2,3)4;1-5-9(7,8)6(2,3)4/h5,7-8H,4,6H2,1-3H3;1-5H3,(H,11,12);5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;4,6H,5,7H2,1-3H3;4-5H,6H2,1-3H3;4-5H,1-3H3;5H,1H2,2-4H3;5H,1H2,2-4H3/b;7-6-;;;;;;;;.

What are the key properties of 6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane?

6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane has a molecular weight of 1469.13 g/mol, XLogP of 18.58, 5 rotatable bonds, 1 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-2,3-dihydropyridin-6-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;1-tert-butyl-3-fluoropyrazole;1-tert-butyl-2H-pyrrol-5-one;4,4-dimethylpent-1-en-3-one;2-ethenylsulfonyl-2-methylpropane is sourced from PubChem (CID 157474373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).