1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane

C103H158O10 — CID 162002515

About 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane

1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane (PubChem CID 162002515) has the molecular formula C103H158O10 and a molecular weight of 1556.39 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane
• PubChem CID: 162002515
• Molecular Formula: C103H158O10
• Molecular Weight: 1556.39 g/mol
• Exact Mass: 1555.19
• IUPAC Name: 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane
• SMILES: CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CC3CCC2C3)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC(C)C)cc1.CCC(C)c1ccc(OC(OC(C)C)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)C)cc1
• InChI: InChI=1S/C24H36O2.C21H34O2.C19H28O2.C19H32O2.2C10H14O/c1-5-16(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;1-6-17(4)18-10-12-19(13-11-18)23-20(22-16(2)3)21(5)14-8-7-9-15-21;1-4-13(2)16-7-9-18(10-8-16)20-14(3)21-19-12-15-5-6-17(19)11-15;1-8-15(4)16-9-11-17(12-10-16)21-18(20-14(2)3)13-19(5,6)7;2*1-3-8(2)9-4-6-10(11)7-5-9/h9-12,15-16,18,20-24H,5-8,13-14H2,1-4H3;10-13,16-17,20H,6-9,14-15H2,1-5H3;7-10,13-15,17,19H,4-6,11-12H2,1-3H3;9-12,14-15,18H,8,13H2,1-7H3;2*4-8,11H,3H2,1-2H3
• InChIKey: YSKAZFKDPHWDKH-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.39
LogP ≤ 5	29.41
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-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane?

The IUPAC name of 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane (CID 162002515) is 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane?

The canonical SMILES for 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CC3CCC2C3)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC(C)C)cc1.CCC(C)c1ccc(OC(OC(C)C)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C(C)C)cc1.

What is the InChIKey of 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane?

The InChIKey is YSKAZFKDPHWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2.C21H34O2.C19H28O2.C19H32O2.2C10H14O/c1-5-16(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;1-6-17(4)18-10-12-19(13-11-18)23-20(22-16(2)3)21(5)14-8-7-9-15-21;1-4-13(2)16-7-9-18(10-8-16)20-14(3)21-19-12-15-5-6-17(19)11-15;1-8-15(4)16-9-11-17(12-10-16)21-18(20-14(2)3)13-19(5,6)7;2*1-3-8(2)9-4-6-10(11)7-5-9/h9-12,15-16,18,20-24H,5-8,13-14H2,1-4H3;10-13,16-17,20H,6-9,14-15H2,1-5H3;7-10,13-15,17,19H,4-6,11-12H2,1-3H3;9-12,14-15,18H,8,13H2,1-7H3;2*4-8,11H,3H2,1-2H3.

What are the key properties of 1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane?

1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane has a molecular weight of 1556.39 g/mol, XLogP of 29.41, 31 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-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 162002515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).