tetrakis(octadec-9-enyl) silicate

C72H140O4Si — CID 90724700

IUPACtetrakis(octadec-9-enyl) silicate
SMILESCCCCCCCCC=CCCCCCCCCO[Si](OCCCCCCCCC=CCCCCCCCC)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C72H140O4Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77(74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3
InChIKeyOLQUZZCKICNADS-UHFFFAOYSA-N
MW1097.99 g/mol
LogP25.64
Rot. Bonds68

About tetrakis(octadec-9-enyl) silicate

tetrakis(octadec-9-enyl) silicate (PubChem CID 90724700) has the molecular formula C72H140O4Si and a molecular weight of 1097.99 g/mol. Its IUPAC name is tetrakis(octadec-9-enyl) silicate.

Molecular Properties

Compound Nametetrakis(octadec-9-enyl) silicate
PubChem CID90724700
Molecular FormulaC72H140O4Si
Molecular Weight1097.99 g/mol
Exact Mass1097.05
IUPAC Nametetrakis(octadec-9-enyl) silicate
SMILESCCCCCCCCC=CCCCCCCCCO[Si](OCCCCCCCCC=CCCCCCCCC)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C72H140O4Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77(74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3
InChIKeyOLQUZZCKICNADS-UHFFFAOYSA-N
XLogP25.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds68
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.99
LogP ≤ 525.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(octadec-9-enyl) silicate?
The IUPAC name of tetrakis(octadec-9-enyl) silicate (CID 90724700) is tetrakis(octadec-9-enyl) silicate.
What is the SMILES notation for tetrakis(octadec-9-enyl) silicate?
The canonical SMILES for tetrakis(octadec-9-enyl) silicate is CCCCCCCCC=CCCCCCCCCO[Si](OCCCCCCCCC=CCCCCCCCC)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC.
What is the InChIKey of tetrakis(octadec-9-enyl) silicate?
The InChIKey is OLQUZZCKICNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H140O4Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77(74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3.
What are the key properties of tetrakis(octadec-9-enyl) silicate?
tetrakis(octadec-9-enyl) silicate has a molecular weight of 1097.99 g/mol, XLogP of 25.64, 68 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(octadec-9-enyl) silicate is sourced from PubChem (CID 90724700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).