1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene

C26H36F6O6 — CID 91154448

About 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene

1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene (PubChem CID 91154448) has the molecular formula C26H36F6O6 and a molecular weight of 558.56 g/mol. Its IUPAC name is 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene.

Molecular Properties

• Compound Name: 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
• PubChem CID: 91154448
• Molecular Formula: C26H36F6O6
• Molecular Weight: 558.56 g/mol
• Exact Mass: 558.24
• IUPAC Name: 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
• SMILES: COCC(C)OC.COCCOC.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C17H14F6O2.C5H12O2.C4H10O2/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-5(7-3)4-6-2;1-5-3-4-6-2/h3-10H,1-2H3;5H,4H2,1-3H3;3-4H2,1-2H3
• InChIKey: BKTULHSQFZUGDJ-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.56
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene?

The IUPAC name of 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene (CID 91154448) is 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene.

What is the SMILES notation for 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene?

The canonical SMILES for 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene is COCC(C)OC.COCCOC.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene?

The InChIKey is BKTULHSQFZUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6O2.C5H12O2.C4H10O2/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-5(7-3)4-6-2;1-5-3-4-6-2/h3-10H,1-2H3;5H,4H2,1-3H3;3-4H2,1-2H3.

What are the key properties of 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene?

1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene has a molecular weight of 558.56 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethoxyethane;1,2-dimethoxypropane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene is sourced from PubChem (CID 91154448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).