triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane

C30H44O7Si — CID 90233850

About triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane

triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane (PubChem CID 90233850) has the molecular formula C30H44O7Si and a molecular weight of 544.76 g/mol. Its IUPAC name is triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
• PubChem CID: 90233850
• Molecular Formula: C30H44O7Si
• Molecular Weight: 544.76 g/mol
• Exact Mass: 544.29
• IUPAC Name: triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
• SMILES: CCO[Si](CCCc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)(OCC)OCC
• InChI: InChI=1S/C30H44O7Si/c1-6-35-38(36-7-2,37-8-3)17-9-10-23-18-25(13-16-29(23)34-22-28-21-33-28)30(4,5)24-11-14-26(15-12-24)31-19-27-20-32-27/h11-16,18,27-28H,6-10,17,19-22H2,1-5H3
• InChIKey: HAJMFTOCPVNDBH-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 71.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.76
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane?

The IUPAC name of triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane (CID 90233850) is triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane.

What is the SMILES notation for triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane?

The canonical SMILES for triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane is CCO[Si](CCCc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)(OCC)OCC.

What is the InChIKey of triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane?

The InChIKey is HAJMFTOCPVNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O7Si/c1-6-35-38(36-7-2,37-8-3)17-9-10-23-18-25(13-16-29(23)34-22-28-21-33-28)30(4,5)24-11-14-26(15-12-24)31-19-27-20-32-27/h11-16,18,27-28H,6-10,17,19-22H2,1-5H3.

What are the key properties of triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane?

triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane has a molecular weight of 544.76 g/mol, XLogP of 5.55, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane is sourced from PubChem (CID 90233850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).