[2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane

C36H60O6Si2 — CID 134831708

About [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane

[2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane (PubChem CID 134831708) has the molecular formula C36H60O6Si2 and a molecular weight of 645.04 g/mol. Its IUPAC name is [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
• PubChem CID: 134831708
• Molecular Formula: C36H60O6Si2
• Molecular Weight: 645.04 g/mol
• Exact Mass: 644.39
• IUPAC Name: [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
• SMILES: COCOc1cc(/C=C/c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2O[Si](C(C)C)(C(C)C)C(C)C)cc(OCOC)c1
• InChI: InChI=1S/C36H60O6Si2/c1-25(2)43(26(3)4,27(5)6)41-33-18-17-32(36(22-33)42-44(28(7)8,29(9)10)30(11)12)16-15-31-19-34(39-23-37-13)21-35(20-31)40-24-38-14/h15-22,25-30H,23-24H2,1-14H3/b16-15+
• InChIKey: MWNURRYSQHLJJO-FOCLMDBBSA-N
• XLogP: 10.93
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.04
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?

The IUPAC name of [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane (CID 134831708) is [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane is COCOc1cc(/C=C/c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2O[Si](C(C)C)(C(C)C)C(C)C)cc(OCOC)c1.

What is the InChIKey of [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?

The InChIKey is MWNURRYSQHLJJO-FOCLMDBBSA-N. The full InChI is InChI=1S/C36H60O6Si2/c1-25(2)43(26(3)4,27(5)6)41-33-18-17-32(36(22-33)42-44(28(7)8,29(9)10)30(11)12)16-15-31-19-34(39-23-37-13)21-35(20-31)40-24-38-14/h15-22,25-30H,23-24H2,1-14H3/b16-15+.

What are the key properties of [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane?

[2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane has a molecular weight of 645.04 g/mol, XLogP of 10.93, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134831708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).