8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane

C174H262N14O6S — CID 158642913

About 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane

8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane (PubChem CID 158642913) has the molecular formula C174H262N14O6S and a molecular weight of 2678.17 g/mol. Its IUPAC name is 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane.

Molecular Properties

• Compound Name: 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
• PubChem CID: 158642913
• Molecular Formula: C174H262N14O6S
• Molecular Weight: 2678.17 g/mol
• Exact Mass: 2676.03
• IUPAC Name: 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane
• SMILES: CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1ccc(NC2CC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc2c1OCC(=O)C2.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.Cc1ccc2c(c1)CC(C(C)(C)C)O2.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1ccnc1COc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C16H18O.C15H20N2O.C15H22.C14H19N3.C13H17NS.C13H16O2.C13H18O.C12H18N2.C12H20N2.C11H20N2.C11H17N.C10H19NO.C10H18.C9H20/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-13(2,3)11-6-4-5-9-7-10(14)8-15-12(9)11;1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4;1-12(2,3)9-4-7-11(13-8-9)14-10-5-6-10;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5/h4-12H,1-3H3;5-10H,11H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;5-7,12H,8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;7H2,1-6H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3
• InChIKey: IAPOKBFEQZZCIV-UHFFFAOYSA-N
• XLogP: 46.15
• TPSA: 217.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.17
LogP ≤ 5	46.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane?

The IUPAC name of 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane (CID 158642913) is 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane.

What is the SMILES notation for 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane?

The canonical SMILES for 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane is CC(C)(C)C1CC=CCC1.CC(C)(C)CCCCc1ncccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1nc2ccccc2s1.CC(C)(C)Cc1ccc2c(c1)CCCC2.CC(C)(C)c1ccc(NC2CC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc2c1OCC(=O)C2.CC(C)CCC(C)(C)C.CN1CCC(C(C)(C)C)CC1=O.Cc1cc(C)n(-c2ccc(C(C)(C)C)cn2)n1.Cc1ccc2c(c1)CC(C(C)(C)C)O2.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1ccnc1COc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane?

The InChIKey is IAPOKBFEQZZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C15H20N2O.C15H22.C14H19N3.C13H17NS.C13H16O2.C13H18O.C12H18N2.C12H20N2.C11H20N2.C11H17N.C10H19NO.C10H18.C9H20/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-5-7-13(8-6-12)18-11-14-16-9-10-17(14)4;1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-10-8-11(2)17(16-10)13-7-6-12(9-15-13)14(3,4)5;1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-13(2,3)11-6-4-5-9-7-10(14)8-15-12(9)11;1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4;1-12(2,3)9-4-7-11(13-8-9)14-10-5-6-10;1-12(2,3)8-5-4-7-11-13-9-6-10-14-11;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-11(2,3)8-7-10-6-4-5-9-12-10;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)6-7-9(3,4)5/h4-12H,1-3H3;5-10H,11H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-9H,1-5H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;5-7,12H,8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;7H2,1-6H3;4-6,9H,7-8H2,1-3H3;8H,5-7H2,1-4H3;4-5,9H,6-8H2,1-3H3;8H,6-7H2,1-5H3.

What are the key properties of 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane?

8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane has a molecular weight of 2678.17 g/mol, XLogP of 46.15, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-4H-chromen-3-one;4-tert-butylcyclohexene;5-tert-butyl-N-cyclopropylpyridin-2-amine;5-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)pyridine;2-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1-methylpiperidin-2-one;1-tert-butyl-4-phenoxybenzene;2-[(4-tert-butylphenoxy)methyl]-1-methylimidazole;2-(3,3-dimethylbutyl)-1,3-benzothiazole;2-(3,3-dimethylbutyl)pyridine;2-(5,5-dimethylhexyl)pyrimidine;6-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;2,2,5-trimethylhexane is sourced from PubChem (CID 158642913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).