2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite

C42H62NO14PSi — CID 169034043

About 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite

2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite (PubChem CID 169034043) has the molecular formula C42H62NO14PSi and a molecular weight of 864.01 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite
• PubChem CID: 169034043
• Molecular Formula: C42H62NO14PSi
• Molecular Weight: 864.01 g/mol
• Exact Mass: 863.37
• IUPAC Name: 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite
• SMILES: COc1ccc(C(OCCOCCOCCOCCOCCOCCOP(OCCC#N)OCCC[Si](OC)(OC)OC)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C42H62NO14PSi/c1-44-40-17-13-38(14-18-40)42(37-11-7-6-8-12-37,39-15-19-41(45-2)20-16-39)54-34-32-52-30-28-50-26-24-49-25-27-51-29-31-53-33-35-57-58(55-22-9-21-43)56-23-10-36-59(46-3,47-4)48-5/h6-8,11-20H,9-10,22-36H2,1-5H3
• InChIKey: MGFHZGUSQIPNKQ-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 153.01 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.01
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite?

The IUPAC name of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite (CID 169034043) is 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite is COc1ccc(C(OCCOCCOCCOCCOCCOCCOP(OCCC#N)OCCC[Si](OC)(OC)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite?

The InChIKey is MGFHZGUSQIPNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H62NO14PSi/c1-44-40-17-13-38(14-18-40)42(37-11-7-6-8-12-37,39-15-19-41(45-2)20-16-39)54-34-32-52-30-28-50-26-24-49-25-27-51-29-31-53-33-35-57-58(55-22-9-21-43)56-23-10-36-59(46-3,47-4)48-5/h6-8,11-20H,9-10,22-36H2,1-5H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite?

2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite has a molecular weight of 864.01 g/mol, XLogP of 6.55, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-cyanoethyl 3-trimethoxysilylpropyl phosphite is sourced from PubChem (CID 169034043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).