triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane

C37H60O7Si — CID 91076781

About triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane

triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane (PubChem CID 91076781) has the molecular formula C37H60O7Si and a molecular weight of 644.97 g/mol. Its IUPAC name is triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane
• PubChem CID: 91076781
• Molecular Formula: C37H60O7Si
• Molecular Weight: 644.97 g/mol
• Exact Mass: 644.41
• IUPAC Name: triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane
• SMILES: CCO[Si](CCCOc1ccc(-c2ccc(OCCCCCCCCCCOCC3(CC)COC3)cc2)cc1)(OCC)OCC
• InChI: InChI=1S/C37H60O7Si/c1-5-37(31-39-32-37)30-38-26-15-13-11-9-10-12-14-16-27-40-35-22-18-33(19-23-35)34-20-24-36(25-21-34)41-28-17-29-45(42-6-2,43-7-3)44-8-4/h18-25H,5-17,26-32H2,1-4H3
• InChIKey: XGULAGJFWLIBDT-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 27
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.97
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane?

The IUPAC name of triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane (CID 91076781) is triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane.

What is the SMILES notation for triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane?

The canonical SMILES for triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane is CCO[Si](CCCOc1ccc(-c2ccc(OCCCCCCCCCCOCC3(CC)COC3)cc2)cc1)(OCC)OCC.

What is the InChIKey of triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane?

The InChIKey is XGULAGJFWLIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60O7Si/c1-5-37(31-39-32-37)30-38-26-15-13-11-9-10-12-14-16-27-40-35-22-18-33(19-23-35)34-20-24-36(25-21-34)41-28-17-29-45(42-6-2,43-7-3)44-8-4/h18-25H,5-17,26-32H2,1-4H3.

What are the key properties of triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane?

triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane has a molecular weight of 644.97 g/mol, XLogP of 9.11, 27 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[3-[4-[4-[10-[(3-ethyloxetan-3-yl)methoxy]decoxy]phenyl]phenoxy]propyl]silane is sourced from PubChem (CID 91076781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).