tetraethyl silicate;triethoxy(octyl)silane

C22H52O7Si2 — CID 174926814

IUPACtetraethyl silicate;triethoxy(octyl)silane
SMILESCCCCCCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H32O3Si.C8H20O4Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5-14H2,1-4H3;5-8H2,1-4H3
InChIKeyUQXMSJYVEFPNBL-UHFFFAOYSA-N
MW484.82 g/mol
LogP5.96
Rot. Bonds21

About tetraethyl silicate;triethoxy(octyl)silane

tetraethyl silicate;triethoxy(octyl)silane (PubChem CID 174926814) has the molecular formula C22H52O7Si2 and a molecular weight of 484.82 g/mol. Its IUPAC name is tetraethyl silicate;triethoxy(octyl)silane.

Molecular Properties

Compound Nametetraethyl silicate;triethoxy(octyl)silane
PubChem CID174926814
Molecular FormulaC22H52O7Si2
Molecular Weight484.82 g/mol
Exact Mass484.33
IUPAC Nametetraethyl silicate;triethoxy(octyl)silane
SMILESCCCCCCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H32O3Si.C8H20O4Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5-14H2,1-4H3;5-8H2,1-4H3
InChIKeyUQXMSJYVEFPNBL-UHFFFAOYSA-N
XLogP5.96
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.82
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925
dodecyl-diethoxy-methoxysilane
CID 141483107
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
triethoxy(8-fluorohenicosyl)silane
CID 87070985

Frequently Asked Questions

What is the IUPAC name of tetraethyl silicate;triethoxy(octyl)silane?
The IUPAC name of tetraethyl silicate;triethoxy(octyl)silane (CID 174926814) is tetraethyl silicate;triethoxy(octyl)silane.
What is the SMILES notation for tetraethyl silicate;triethoxy(octyl)silane?
The canonical SMILES for tetraethyl silicate;triethoxy(octyl)silane is CCCCCCCC[Si](OCC)(OCC)OCC.CCO[Si](OCC)(OCC)OCC.
What is the InChIKey of tetraethyl silicate;triethoxy(octyl)silane?
The InChIKey is UQXMSJYVEFPNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si.C8H20O4Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4;1-5-9-13(10-6-2,11-7-3)12-8-4/h5-14H2,1-4H3;5-8H2,1-4H3.
What are the key properties of tetraethyl silicate;triethoxy(octyl)silane?
tetraethyl silicate;triethoxy(octyl)silane has a molecular weight of 484.82 g/mol, XLogP of 5.96, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;triethoxy(octyl)silane is sourced from PubChem (CID 174926814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).