1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate

C86H128O9 — CID 159199348

About 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate

1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate (PubChem CID 159199348) has the molecular formula C86H128O9 and a molecular weight of 1305.96 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate
• PubChem CID: 159199348
• Molecular Formula: C86H128O9
• Molecular Weight: 1305.96 g/mol
• Exact Mass: 1304.96
• IUPAC Name: 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate
• SMILES: CCC(C)c1ccc(OC(=O)OC(C)(C)C)c(C)c1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)(CC)C(=O)OC(C)(C)C)c(C)c1.CCC(C)c1ccc(OC(C)c2ccccc2)cc1.CCC(C)c1ccc(OC2(CC)CCCCC2)cc1
• InChI: InChI=1S/C20H32O3.C18H22O.C18H28O.C16H24O3.C14H22O/c1-9-14(3)16-11-12-17(15(4)13-16)22-20(8,10-2)18(21)23-19(5,6)7;1-4-14(2)16-10-12-18(13-11-16)19-15(3)17-8-6-5-7-9-17;1-4-15(3)16-9-11-17(12-10-16)19-18(5-2)13-7-6-8-14-18;1-7-11(2)13-8-9-14(12(3)10-13)18-15(17)19-16(4,5)6;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h11-14H,9-10H2,1-8H3;5-15H,4H2,1-3H3;9-12,15H,4-8,13-14H2,1-3H3;8-11H,7H2,1-6H3;7-11H,6H2,1-5H3
• InChIKey: KPBRSPOIDOOJEZ-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.96
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate?

The IUPAC name of 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate (CID 159199348) is 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate.

What is the SMILES notation for 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate?

The canonical SMILES for 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate is CCC(C)c1ccc(OC(=O)OC(C)(C)C)c(C)c1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)(CC)C(=O)OC(C)(C)C)c(C)c1.CCC(C)c1ccc(OC(C)c2ccccc2)cc1.CCC(C)c1ccc(OC2(CC)CCCCC2)cc1.

What is the InChIKey of 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate?

The InChIKey is KPBRSPOIDOOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3.C18H22O.C18H28O.C16H24O3.C14H22O/c1-9-14(3)16-11-12-17(15(4)13-16)22-20(8,10-2)18(21)23-19(5,6)7;1-4-14(2)16-10-12-18(13-11-16)19-15(3)17-8-6-5-7-9-17;1-4-15(3)16-9-11-17(12-10-16)19-18(5-2)13-7-6-8-14-18;1-7-11(2)13-8-9-14(12(3)10-13)18-15(17)19-16(4,5)6;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h11-14H,9-10H2,1-8H3;5-15H,4H2,1-3H3;9-12,15H,4-8,13-14H2,1-3H3;8-11H,7H2,1-6H3;7-11H,6H2,1-5H3.

What are the key properties of 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate?

1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate has a molecular weight of 1305.96 g/mol, XLogP of 25.63, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate is sourced from PubChem (CID 159199348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).