diethyl dioctyl silicate

C20H44O4Si — CID 154218739

IUPACdiethyl dioctyl silicate
SMILESCCCCCCCCO[Si](OCC)(OCC)OCCCCCCCC
InChIInChI=1S/C20H44O4Si/c1-5-9-11-13-15-17-19-23-25(21-7-3,22-8-4)24-20-18-16-14-12-10-6-2/h5-20H2,1-4H3
InChIKeyXYDOCRMTAWJPHY-UHFFFAOYSA-N
MW376.65 g/mol
LogP6.25
Rot. Bonds20

About diethyl dioctyl silicate

diethyl dioctyl silicate (PubChem CID 154218739) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is diethyl dioctyl silicate.

Molecular Properties

Compound Namediethyl dioctyl silicate
PubChem CID154218739
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Namediethyl dioctyl silicate
SMILESCCCCCCCCO[Si](OCC)(OCC)OCCCCCCCC
InChIInChI=1S/C20H44O4Si/c1-5-9-11-13-15-17-19-23-25(21-7-3,22-8-4)24-20-18-16-14-12-10-6-2/h5-20H2,1-4H3
InChIKeyXYDOCRMTAWJPHY-UHFFFAOYSA-N
XLogP6.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 56.25
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

tridodecyl ethyl silicate
CID 154324829
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
tributyl octyl silicate
CID 141280761
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
ethyl dimethyl pentyl silicate
CID 88851017
dipentyl dipropyl silicate
CID 524722
4-aminobutyl triethyl silicate
CID 140519735
methyl tripentyl silicate
CID 524731
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of diethyl dioctyl silicate?
The IUPAC name of diethyl dioctyl silicate (CID 154218739) is diethyl dioctyl silicate.
What is the SMILES notation for diethyl dioctyl silicate?
The canonical SMILES for diethyl dioctyl silicate is CCCCCCCCO[Si](OCC)(OCC)OCCCCCCCC.
What is the InChIKey of diethyl dioctyl silicate?
The InChIKey is XYDOCRMTAWJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-5-9-11-13-15-17-19-23-25(21-7-3,22-8-4)24-20-18-16-14-12-10-6-2/h5-20H2,1-4H3.
What are the key properties of diethyl dioctyl silicate?
diethyl dioctyl silicate has a molecular weight of 376.65 g/mol, XLogP of 6.25, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl dioctyl silicate is sourced from PubChem (CID 154218739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).