dodecyl(trimethoxy)silane;octane

C23H52O3Si — CID 174570785

IUPACdodecyl(trimethoxy)silane;octane
SMILESCCCCCCCC.CCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C15H34O3Si.C8H18/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4;1-3-5-7-8-6-4-2/h5-15H2,1-4H3;3-8H2,1-2H3
InChIKeyKDMUUYPDGYAXIM-UHFFFAOYSA-N
MW404.75 g/mol
LogP8.15
Rot. Bonds19

About dodecyl(trimethoxy)silane;octane

dodecyl(trimethoxy)silane;octane (PubChem CID 174570785) has the molecular formula C23H52O3Si and a molecular weight of 404.75 g/mol. Its IUPAC name is dodecyl(trimethoxy)silane;octane.

Molecular Properties

Compound Namedodecyl(trimethoxy)silane;octane
PubChem CID174570785
Molecular FormulaC23H52O3Si
Molecular Weight404.75 g/mol
Exact Mass404.37
IUPAC Namedodecyl(trimethoxy)silane;octane
SMILESCCCCCCCC.CCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C15H34O3Si.C8H18/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4;1-3-5-7-8-6-4-2/h5-15H2,1-4H3;3-8H2,1-2H3
InChIKeyKDMUUYPDGYAXIM-UHFFFAOYSA-N
XLogP8.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.75
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethoxy)silane;octane?
The IUPAC name of dodecyl(trimethoxy)silane;octane (CID 174570785) is dodecyl(trimethoxy)silane;octane.
What is the SMILES notation for dodecyl(trimethoxy)silane;octane?
The canonical SMILES for dodecyl(trimethoxy)silane;octane is CCCCCCCC.CCCCCCCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of dodecyl(trimethoxy)silane;octane?
The InChIKey is KDMUUYPDGYAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si.C8H18/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4;1-3-5-7-8-6-4-2/h5-15H2,1-4H3;3-8H2,1-2H3.
What are the key properties of dodecyl(trimethoxy)silane;octane?
dodecyl(trimethoxy)silane;octane has a molecular weight of 404.75 g/mol, XLogP of 8.15, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethoxy)silane;octane is sourced from PubChem (CID 174570785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).