1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate

C234H348O33 — CID 159332391

About 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate (PubChem CID 159332391) has the molecular formula C234H348O33 and a molecular weight of 3689.32 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate
• PubChem CID: 159332391
• Molecular Formula: C234H348O33
• Molecular Weight: 3689.32 g/mol
• Exact Mass: 3686.56
• IUPAC Name: 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate
• SMILES: CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1
• InChI: InChI=1S/C20H32O2.C18H20O2.C17H32O2.C16H26O4.C16H24O3.C15H30O3.C15H24O.2C14H20O4.C14H20O2.C14H14.C11H16O.5C10H14O/c1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-9-15(7,8)13(16)18-12(17-11(2)3)10-14(4,5)6;1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-11(2,3)9-5-7-10(12)8-6-9;5*1-3-8(2)9-4-6-10(11)7-5-9/h10-13,16-18H,4-9,14-15H2,1-3H3;5-13H,4H2,1-3H3;14H,6-13H2,1-5H3;11,18-19H,4-10H2,1-3H3;7-10,12H,6,11H2,1-5H3;11-12H,9-10H2,1-8H3;8-12H,6-7H2,1-5H3;2*7-11H,4-6H2,1-3H3;6-11H,5H2,1-4H3;3-10H,1-2H3;5-8,12H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3
• InChIKey: LFCSPHRUOMPBHB-UHFFFAOYSA-N
• XLogP: 59.94
• TPSA: 470.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 59
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3689.32
LogP ≤ 5	59.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate?

The IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate (CID 159332391) is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate.

What is the SMILES notation for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate?

The canonical SMILES for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate is CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.

What is the InChIKey of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate?

The InChIKey is LFCSPHRUOMPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C18H20O2.C17H32O2.C16H26O4.C16H24O3.C15H30O3.C15H24O.2C14H20O4.C14H20O2.C14H14.C11H16O.5C10H14O/c1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-9-15(7,8)13(16)18-12(17-11(2)3)10-14(4,5)6;1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-11(2,3)9-5-7-10(12)8-6-9;5*1-3-8(2)9-4-6-10(11)7-5-9/h10-13,16-18H,4-9,14-15H2,1-3H3;5-13H,4H2,1-3H3;14H,6-13H2,1-5H3;11,18-19H,4-10H2,1-3H3;7-10,12H,6,11H2,1-5H3;11-12H,9-10H2,1-8H3;8-12H,6-7H2,1-5H3;2*7-11H,4-6H2,1-3H3;6-11H,5H2,1-4H3;3-10H,1-2H3;5-8,12H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3.

What are the key properties of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate?

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate has a molecular weight of 3689.32 g/mol, XLogP of 59.94, 59 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;pentakis(4-butan-2-ylphenol);tert-butyl 2-(4-butan-2-ylphenoxy)acetate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);1-phenylethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159332391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).