bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

C96H164O8 — CID 159170843

About bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene

bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 159170843) has the molecular formula C96H164O8 and a molecular weight of 1446.36 g/mol. Its IUPAC name is bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

• Compound Name: bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
• PubChem CID: 159170843
• Molecular Formula: C96H164O8
• Molecular Weight: 1446.36 g/mol
• Exact Mass: 1445.24
• IUPAC Name: bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
• SMILES: CCC(C)(C)c1ccc(OC(C)(C)C)cc1.CCC(C)(C)c1ccc(OC2(C)CCCCC2)cc1.CCC(C)c1ccc(OC2(C)CCCCC2)cc1.CCC(C)c1ccc(OC2(C)CCCCC2)cc1.COC(C)(C)C.COC1(C)CCCCC1.COC1(C)CCCCC1.COC1(C)CCCCC1
• InChI: InChI=1S/C18H28O.2C17H26O.C15H24O.3C8H16O.C5H12O/c1-5-17(2,3)15-9-11-16(12-10-15)19-18(4)13-7-6-8-14-18;2*1-4-14(2)15-8-10-16(11-9-15)18-17(3)12-6-5-7-13-17;1-7-15(5,6)12-8-10-13(11-9-12)16-14(2,3)4;3*1-8(9-2)6-4-3-5-7-8;1-5(2,3)6-4/h9-12H,5-8,13-14H2,1-4H3;2*8-11,14H,4-7,12-13H2,1-3H3;8-11H,7H2,1-6H3;3*3-7H2,1-2H3;1-4H3
• InChIKey: KLQYXVZQGJVGPC-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1446.36
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?

The IUPAC name of bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene (CID 159170843) is bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene.

What is the SMILES notation for bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?

The canonical SMILES for bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is CCC(C)(C)c1ccc(OC(C)(C)C)cc1.CCC(C)(C)c1ccc(OC2(C)CCCCC2)cc1.CCC(C)c1ccc(OC2(C)CCCCC2)cc1.CCC(C)c1ccc(OC2(C)CCCCC2)cc1.COC(C)(C)C.COC1(C)CCCCC1.COC1(C)CCCCC1.COC1(C)CCCCC1.

What is the InChIKey of bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?

The InChIKey is KLQYXVZQGJVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O.2C17H26O.C15H24O.3C8H16O.C5H12O/c1-5-17(2,3)15-9-11-16(12-10-15)19-18(4)13-7-6-8-14-18;2*1-4-14(2)15-8-10-16(11-9-15)18-17(3)12-6-5-7-13-17;1-7-15(5,6)12-8-10-13(11-9-12)16-14(2,3)4;3*1-8(9-2)6-4-3-5-7-8;1-5(2,3)6-4/h9-12H,5-8,13-14H2,1-4H3;2*8-11,14H,4-7,12-13H2,1-3H3;8-11H,7H2,1-6H3;3*3-7H2,1-2H3;1-4H3.

What are the key properties of bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene?

bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 1446.36 g/mol, XLogP of 29.13, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 159170843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).