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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one

C107H181N7O9 — CID 161036851

IUPAC6-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
SMILESC/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)C(=O)C1=CCCCC1.CC(C)(C)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.Cc1ccn(C(C)(C)C)n1
InChIInChI=1S/C11H18O.C10H19NO.2C10H16O.2C9H14N2.C9H14O.C9H16O.C8H14N2.C8H14O.C7H14O.C7H12O/c1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)7-6-8-11(4)5;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;1-9(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;2*1-5-6(8)7(2,3)4/h7H,4-6,8H2,1-3H3;6-7H,8H2,1-5H3;5,7-8H,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;5H2,1-4H3;5H,1H2,2-4H3/b;7-6+;;;;;;;;6-5+;;
InChIKeyUAJBKFUPOGKAPR-AGKNBYDHSA-N
MW1709.66 g/mol
LogP27.48
Rot. Bonds12

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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (PubChem CID 161036851) has the molecular formula C107H181N7O9 and a molecular weight of 1709.66 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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one.

Molecular Properties

Compound Name6-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
PubChem CID161036851
Molecular FormulaC107H181N7O9
Molecular Weight1709.66 g/mol
Exact Mass1708.39
IUPAC Name6-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one
SMILESC/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)C(=O)C1=CCCCC1.CC(C)(C)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.Cc1ccn(C(C)(C)C)n1
InChIInChI=1S/C11H18O.C10H19NO.2C10H16O.2C9H14N2.C9H14O.C9H16O.C8H14N2.C8H14O.C7H14O.C7H12O/c1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)7-6-8-11(4)5;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;1-9(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;2*1-5-6(8)7(2,3)4/h7H,4-6,8H2,1-3H3;6-7H,8H2,1-5H3;5,7-8H,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;5H2,1-4H3;5H,1H2,2-4H3/b;7-6+;;;;;;;;6-5+;;
InChIKeyUAJBKFUPOGKAPR-AGKNBYDHSA-N
XLogP27.48
TPSA210.33 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.66
LogP ≤ 527.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one with MolForge

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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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one (CID 161036851) 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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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)C(=O)C1=CCCCC1.CC(C)(C)C1CCC=CC1=O.CC(C)=CC(=O)C(C)(C)C.CCC(=O)C(C)(C)C.CN(C)C/C=C/C(=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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one?
The InChIKey is UAJBKFUPOGKAPR-AGKNBYDHSA-N. The full InChI is InChI=1S/C11H18O.C10H19NO.2C10H16O.2C9H14N2.C9H14O.C9H16O.C8H14N2.C8H14O.C7H14O.C7H12O/c1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)7-6-8-11(4)5;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;1-9(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;2*1-5-6(8)7(2,3)4/h7H,4-6,8H2,1-3H3;6-7H,8H2,1-5H3;5,7-8H,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;5H2,1-4H3;5H,1H2,2-4H3/b;7-6+;;;;;;;;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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one has a molecular weight of 1709.66 g/mol, XLogP of 27.48, 12 rotatable bonds, 0 hydrogen bond donors, and 16 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-(cyclohexen-1-yl)-2,2-dimethylpropan-1-one;1-(cyclopenten-1-yl)-2,2-dimethylpropan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-2,2-dimethylhex-4-en-3-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one;2,2,5-trimethylhex-4-en-3-one is sourced from PubChem (CID 161036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).