2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane

C26H58O4Si2 — CID 173016868

About 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane

2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane (PubChem CID 173016868) has the molecular formula C26H58O4Si2 and a molecular weight of 490.92 g/mol. Its IUPAC name is 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane.

Molecular Properties

• Compound Name: 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane
• PubChem CID: 173016868
• Molecular Formula: C26H58O4Si2
• Molecular Weight: 490.92 g/mol
• Exact Mass: 490.39
• IUPAC Name: 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane
• SMILES: CC(C)(C)OCCC(C[SiH2]CC[SiH2]CC(CCOC(C)(C)C)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C26H58O4Si2/c1-23(2,3)27-15-13-21(29-25(7,8)9)19-31-17-18-32-20-22(30-26(10,11)12)14-16-28-24(4,5)6/h21-22H,13-20,31-32H2,1-12H3
• InChIKey: CMZAISKUXMNDLS-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.92
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane?

The IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane (CID 173016868) is 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane.

What is the SMILES notation for 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane?

The canonical SMILES for 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane is CC(C)(C)OCCC(C[SiH2]CC[SiH2]CC(CCOC(C)(C)C)OC(C)(C)C)OC(C)(C)C.

What is the InChIKey of 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane?

The InChIKey is CMZAISKUXMNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O4Si2/c1-23(2,3)27-15-13-21(29-25(7,8)9)19-31-17-18-32-20-22(30-26(10,11)12)14-16-28-24(4,5)6/h21-22H,13-20,31-32H2,1-12H3.

What are the key properties of 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane?

2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane has a molecular weight of 490.92 g/mol, XLogP of 5.78, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[(2-methylpropan-2-yl)oxy]butyl-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]butylsilyl]ethyl]silane is sourced from PubChem (CID 173016868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).