2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate

C168H208O23S2 — CID 161205872

About 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate

2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate (PubChem CID 161205872) has the molecular formula C168H208O23S2 and a molecular weight of 2659.62 g/mol. Its IUPAC name is 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate
• PubChem CID: 161205872
• Molecular Formula: C168H208O23S2
• Molecular Weight: 2659.62 g/mol
• Exact Mass: 2657.45
• IUPAC Name: 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate
• SMILES: CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(O)ccc2c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)(C)Oc2ccccc2)cc1.CCC(C)c1ccc2cc(OC(COc3ccccc3)OCc3cccc4ccccc34)ccc2c1.CCOC(COC(=O)C12CC3CC(CC(C3)C1)C2)Oc1ccc(C(C)CC)cc1
• InChI: InChI=1S/C33H32O3.C30H40O3.C25H36O4.C17H18O5S.C16H18O3.C14H14.C12H16O3.C11H21OS.C10H14O/c1-3-24(2)26-16-17-28-21-31(19-18-27(28)20-26)36-33(23-34-30-13-5-4-6-14-30)35-22-29-12-9-11-25-10-7-8-15-32(25)29;1-5-20(2)21-14-16-23(17-15-21)31-29(30(3,4)33-24-10-7-6-8-11-24)32-28-19-22-18-27(28)26-13-9-12-25(22)26;1-4-17(3)21-6-8-22(9-7-21)29-23(27-5-2)16-28-24(26)25-13-18-10-19(14-25)12-20(11-18)15-25;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-4-16(2,3)15(18)19-14-8-6-11-9-13(17)7-5-12(11)10-14;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-9(2)10(12)11(3,4)13-7-5-6-8-13;1-3-8(2)9-4-6-10(11)7-5-9/h4-21,24,33H,3,22-23H2,1-2H3;6-8,10-11,14-17,20,22,25-29H,5,9,12-13,18-19H2,1-4H3;6-9,17-20,23H,4-5,10-16H2,1-3H3;4-12H,3H2,1-2H3,(H,19,20,21);5-10,17H,4H2,1-3H3;3-10H,1-2H3;5-8,13H,4H2,1-3H3;9H,5-8H2,1-4H3;4-8,11H,3H2,1-2H3/q;;;;;;;+1;/p-1
• InChIKey: UVOWLHQUUFQLEX-UHFFFAOYSA-M
• XLogP: 41.12
• TPSA: 314.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 44
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2659.62
LogP ≤ 5	41.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate?

The IUPAC name of 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate (CID 161205872) is 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate.

What is the SMILES notation for 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate?

The canonical SMILES for 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate is CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(O)ccc2c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)(C)Oc2ccccc2)cc1.CCC(C)c1ccc2cc(OC(COc3ccccc3)OCc3cccc4ccccc34)ccc2c1.CCOC(COC(=O)C12CC3CC(CC(C3)C1)C2)Oc1ccc(C(C)CC)cc1.

What is the InChIKey of 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate?

The InChIKey is UVOWLHQUUFQLEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H32O3.C30H40O3.C25H36O4.C17H18O5S.C16H18O3.C14H14.C12H16O3.C11H21OS.C10H14O/c1-3-24(2)26-16-17-28-21-31(19-18-27(28)20-26)36-33(23-34-30-13-5-4-6-14-30)35-22-29-12-9-11-25-10-7-8-15-32(25)29;1-5-20(2)21-14-16-23(17-15-21)31-29(30(3,4)33-24-10-7-6-8-11-24)32-28-19-22-18-27(28)26-13-9-12-25(22)26;1-4-17(3)21-6-8-22(9-7-21)29-23(27-5-2)16-28-24(26)25-13-18-10-19(14-25)12-20(11-18)15-25;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-4-16(2,3)15(18)19-14-8-6-11-9-13(17)7-5-12(11)10-14;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-9(2)10(12)11(3,4)13-7-5-6-8-13;1-3-8(2)9-4-6-10(11)7-5-9/h4-21,24,33H,3,22-23H2,1-2H3;6-8,10-11,14-17,20,22,25-29H,5,9,12-13,18-19H2,1-4H3;6-9,17-20,23H,4-5,10-16H2,1-3H3;4-12H,3H2,1-2H3,(H,19,20,21);5-10,17H,4H2,1-3H3;3-10H,1-2H3;5-8,13H,4H2,1-3H3;9H,5-8H2,1-4H3;4-8,11H,3H2,1-2H3/q;;;;;;;+1;/p-1.

What are the key properties of 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate?

2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate has a molecular weight of 2659.62 g/mol, XLogP of 41.12, 44 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161205872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).