tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane

C66H128O15Si — CID 101356645

IUPACtris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
SMILESCCCCCCCCCCCCOCCOCCOCCOCCO[Si](OCCOCCOCCOCCOCCCCCCCCCCCC)(OCCOCCOCCOCCOCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C66H128O15Si/c1-4-7-10-13-16-19-22-25-28-34-39-67-42-45-70-48-51-73-54-57-76-60-63-79-82(66-37-32-31-33-38-66,80-64-61-77-58-55-74-52-49-71-46-43-68-40-35-29-26-23-20-17-14-11-8-5-2)81-65-62-78-59-56-75-53-50-72-47-44-69-41-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-38H,4-30,34-36,39-65H2,1-3H3
InChIKeyBKHYPYNNTOGXNN-UHFFFAOYSA-N
MW1189.82 g/mol
LogP13.84
Rot. Bonds73

About tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane

tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane (PubChem CID 101356645) has the molecular formula C66H128O15Si and a molecular weight of 1189.82 g/mol. Its IUPAC name is tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane.

Molecular Properties

Compound Nametris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
PubChem CID101356645
Molecular FormulaC66H128O15Si
Molecular Weight1189.82 g/mol
Exact Mass1188.90
IUPAC Nametris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
SMILESCCCCCCCCCCCCOCCOCCOCCOCCO[Si](OCCOCCOCCOCCOCCCCCCCCCCCC)(OCCOCCOCCOCCOCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C66H128O15Si/c1-4-7-10-13-16-19-22-25-28-34-39-67-42-45-70-48-51-73-54-57-76-60-63-79-82(66-37-32-31-33-38-66,80-64-61-77-58-55-74-52-49-71-46-43-68-40-35-29-26-23-20-17-14-11-8-5-2)81-65-62-78-59-56-75-53-50-72-47-44-69-41-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-38H,4-30,34-36,39-65H2,1-3H3
InChIKeyBKHYPYNNTOGXNN-UHFFFAOYSA-N
XLogP13.84
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds73
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.82
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
2-dodecoxyethoxybenzene
CID 67831231
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
fluorobenzene;1-hexoxyhexane
CID 174664464
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-pentoxyethoxybenzene
CID 54431229
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182

Frequently Asked Questions

What is the IUPAC name of tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane?
The IUPAC name of tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane (CID 101356645) is tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane.
What is the SMILES notation for tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane?
The canonical SMILES for tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane is CCCCCCCCCCCCOCCOCCOCCOCCO[Si](OCCOCCOCCOCCOCCCCCCCCCCCC)(OCCOCCOCCOCCOCCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane?
The InChIKey is BKHYPYNNTOGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H128O15Si/c1-4-7-10-13-16-19-22-25-28-34-39-67-42-45-70-48-51-73-54-57-76-60-63-79-82(66-37-32-31-33-38-66,80-64-61-77-58-55-74-52-49-71-46-43-68-40-35-29-26-23-20-17-14-11-8-5-2)81-65-62-78-59-56-75-53-50-72-47-44-69-41-36-30-27-24-21-18-15-12-9-6-3/h31-33,37-38H,4-30,34-36,39-65H2,1-3H3.
What are the key properties of tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane?
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane has a molecular weight of 1189.82 g/mol, XLogP of 13.84, 73 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane is sourced from PubChem (CID 101356645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).