trimethyl octadecyl silicate

C21H46O4Si — CID 54179259

IUPACtrimethyl octadecyl silicate
SMILESCCCCCCCCCCCCCCCCCCO[Si](OC)(OC)OC
InChIInChI=1S/C21H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-2,23-3)24-4/h5-21H2,1-4H3
InChIKeyPAQJKNISGWCENE-UHFFFAOYSA-N
MW390.68 g/mol
LogP6.64
Rot. Bonds21

About trimethyl octadecyl silicate

trimethyl octadecyl silicate (PubChem CID 54179259) has the molecular formula C21H46O4Si and a molecular weight of 390.68 g/mol. Its IUPAC name is trimethyl octadecyl silicate.

Molecular Properties

Compound Nametrimethyl octadecyl silicate
PubChem CID54179259
Molecular FormulaC21H46O4Si
Molecular Weight390.68 g/mol
Exact Mass390.32
IUPAC Nametrimethyl octadecyl silicate
SMILESCCCCCCCCCCCCCCCCCCO[Si](OC)(OC)OC
InChIInChI=1S/C21H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-2,23-3)24-4/h5-21H2,1-4H3
InChIKeyPAQJKNISGWCENE-UHFFFAOYSA-N
XLogP6.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 56.64
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'}

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Related Compounds

Dioctyl peroxide
CID 29430
Silicic acid (H4SiO4), tetraoctyl ester
CID 66214
Silane, dimethylbis(octadecyloxy)-
CID 120117
Lauryl peroxide
CID 76169
1-Tridecanol, titanium(4+) salt (4:1)
CID 172940
1-Octadecanol, titanium(4+) salt (4:1)
CID 78803
1-Tridecanol, zirconium(4+) salt (4:1)
CID 90659500
Tetraoctyl titanate
CID 165068
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Tetrahexyl orthosilicate
CID 259636
1-(Decylperoxy)decane
CID 15687737

Frequently Asked Questions

What is the IUPAC name of trimethyl octadecyl silicate?
The IUPAC name of trimethyl octadecyl silicate (CID 54179259) is trimethyl octadecyl silicate.
What is the SMILES notation for trimethyl octadecyl silicate?
The canonical SMILES for trimethyl octadecyl silicate is CCCCCCCCCCCCCCCCCCO[Si](OC)(OC)OC.
What is the InChIKey of trimethyl octadecyl silicate?
The InChIKey is PAQJKNISGWCENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22-2,23-3)24-4/h5-21H2,1-4H3.
What are the key properties of trimethyl octadecyl silicate?
trimethyl octadecyl silicate has a molecular weight of 390.68 g/mol, XLogP of 6.64, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl octadecyl silicate is sourced from PubChem (CID 54179259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).