1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane

C118H182O10 — CID 159455343

About 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane

1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane (PubChem CID 159455343) has the molecular formula C118H182O10 and a molecular weight of 1760.74 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane
• PubChem CID: 159455343
• Molecular Formula: C118H182O10
• Molecular Weight: 1760.74 g/mol
• Exact Mass: 1759.37
• IUPAC Name: 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane
• SMILES: C.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC2CCCCC2)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)C)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1
• InChI: InChI=1S/C29H44O2.C26H42O2.C24H36O2.C18H28O2.2C10H14O.CH4/c1-3-21(2)26-9-11-27(12-10-26)31-28(30-14-13-22-7-5-4-6-8-22)29-18-23-15-24(19-29)17-25(16-23)20-29;1-3-21(2)24-14-16-25(17-15-24)28-26(20-23-12-8-5-9-13-23)27-19-18-22-10-6-4-7-11-22;1-5-16(4)17-9-11-19(12-10-17)25-24(15(2)3)26-23-14-18-13-22(23)21-8-6-7-20(18)21;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-3-8(2)9-4-6-10(11)7-5-9;/h9-12,21-25,28H,3-8,13-20H2,1-2H3;14-17,21-23,26H,3-13,18-20H2,1-2H3;9-12,15-16,18,20-24H,5-8,13-14H2,1-4H3;10-15,17H,4-9H2,1-3H3;2*4-8,11H,3H2,1-2H3;1H4
• InChIKey: LTXAHKVVTWLQDV-UHFFFAOYSA-N
• XLogP: 34.09
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1760.74
LogP ≤ 5	34.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane?

The IUPAC name of 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane (CID 159455343) is 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane.

What is the SMILES notation for 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane?

The canonical SMILES for 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane is C.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC2CCCCC2)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)C)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1.

What is the InChIKey of 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane?

The InChIKey is LTXAHKVVTWLQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2.C26H42O2.C24H36O2.C18H28O2.2C10H14O.CH4/c1-3-21(2)26-9-11-27(12-10-26)31-28(30-14-13-22-7-5-4-6-8-22)29-18-23-15-24(19-29)17-25(16-23)20-29;1-3-21(2)24-14-16-25(17-15-24)28-26(20-23-12-8-5-9-13-23)27-19-18-22-10-6-4-7-11-22;1-5-16(4)17-9-11-19(12-10-17)25-24(15(2)3)26-23-14-18-13-22(23)21-8-6-7-20(18)21;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-3-8(2)9-4-6-10(11)7-5-9;/h9-12,21-25,28H,3-8,13-20H2,1-2H3;14-17,21-23,26H,3-13,18-20H2,1-2H3;9-12,15-16,18,20-24H,5-8,13-14H2,1-4H3;10-15,17H,4-9H2,1-3H3;2*4-8,11H,3H2,1-2H3;1H4.

What are the key properties of 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane?

1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane has a molecular weight of 1760.74 g/mol, XLogP of 34.09, 36 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane is sourced from PubChem (CID 159455343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).