tetrakis(2-octyldodecyl) silicate

C80H164O4Si — CID 121237444

IUPACtetrakis(2-octyldodecyl) silicate
SMILESCCCCCCCCCCC(CCCCCCCC)CO[Si](OCC(CCCCCCCC)CCCCCCCCCC)(OCC(CCCCCCCC)CCCCCCCCCC)OCC(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C80H164O4Si/c1-9-17-25-33-41-45-53-61-69-77(65-57-49-37-29-21-13-5)73-81-85(82-74-78(66-58-50-38-30-22-14-6)70-62-54-46-42-34-26-18-10-2,83-75-79(67-59-51-39-31-23-15-7)71-63-55-47-43-35-27-19-11-3)84-76-80(68-60-52-40-32-24-16-8)72-64-56-48-44-36-28-20-12-4/h77-80H,9-76H2,1-8H3
InChIKeyKNDVFJVNQUOSSN-UHFFFAOYSA-N
MW1218.27 g/mol
LogP29.08
Rot. Bonds76

About tetrakis(2-octyldodecyl) silicate

tetrakis(2-octyldodecyl) silicate (PubChem CID 121237444) has the molecular formula C80H164O4Si and a molecular weight of 1218.27 g/mol. Its IUPAC name is tetrakis(2-octyldodecyl) silicate.

Molecular Properties

Compound Nametetrakis(2-octyldodecyl) silicate
PubChem CID121237444
Molecular FormulaC80H164O4Si
Molecular Weight1218.27 g/mol
Exact Mass1217.24
IUPAC Nametetrakis(2-octyldodecyl) silicate
SMILESCCCCCCCCCCC(CCCCCCCC)CO[Si](OCC(CCCCCCCC)CCCCCCCCCC)(OCC(CCCCCCCC)CCCCCCCCCC)OCC(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C80H164O4Si/c1-9-17-25-33-41-45-53-61-69-77(65-57-49-37-29-21-13-5)73-81-85(82-74-78(66-58-50-38-30-22-14-6)70-62-54-46-42-34-26-18-10-2,83-75-79(67-59-51-39-31-23-15-7)71-63-55-47-43-35-27-19-11-3)84-76-80(68-60-52-40-32-24-16-8)72-64-56-48-44-36-28-20-12-4/h77-80H,9-76H2,1-8H3
InChIKeyKNDVFJVNQUOSSN-UHFFFAOYSA-N
XLogP29.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds76
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.27
LogP ≤ 529.08
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'}

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Related Compounds

15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
ethyl tris(2-ethylhexyl) silicate
CID 20542505
19-(methoxymethyl)heptatriacontane
CID 59499210
CID 178056197
CID 178056197
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
13-pentylheptacosane
CID 91387927

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-octyldodecyl) silicate?
The IUPAC name of tetrakis(2-octyldodecyl) silicate (CID 121237444) is tetrakis(2-octyldodecyl) silicate.
What is the SMILES notation for tetrakis(2-octyldodecyl) silicate?
The canonical SMILES for tetrakis(2-octyldodecyl) silicate is CCCCCCCCCCC(CCCCCCCC)CO[Si](OCC(CCCCCCCC)CCCCCCCCCC)(OCC(CCCCCCCC)CCCCCCCCCC)OCC(CCCCCCCC)CCCCCCCCCC.
What is the InChIKey of tetrakis(2-octyldodecyl) silicate?
The InChIKey is KNDVFJVNQUOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H164O4Si/c1-9-17-25-33-41-45-53-61-69-77(65-57-49-37-29-21-13-5)73-81-85(82-74-78(66-58-50-38-30-22-14-6)70-62-54-46-42-34-26-18-10-2,83-75-79(67-59-51-39-31-23-15-7)71-63-55-47-43-35-27-19-11-3)84-76-80(68-60-52-40-32-24-16-8)72-64-56-48-44-36-28-20-12-4/h77-80H,9-76H2,1-8H3.
What are the key properties of tetrakis(2-octyldodecyl) silicate?
tetrakis(2-octyldodecyl) silicate has a molecular weight of 1218.27 g/mol, XLogP of 29.08, 76 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-octyldodecyl) silicate is sourced from PubChem (CID 121237444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).