dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane

C46H104O9Si3 — CID 167572282

IUPACdodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
SMILESCCCCCCCCCCCC[Si](O)(O)O.CCCCCCCCCCCC[Si](OC)(OC)OCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O3Si.C16H36O3Si.C12H28O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-5-7-8-9-10-11-12-13-14-15-16-20(17-3,18-4)19-6-2;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h5-18H2,1-4H3;5-16H2,1-4H3;13-15H,2-12H2,1H3
InChIKeyGBGHEDYULAQNFB-UHFFFAOYSA-N
MW885.59 g/mol
LogP13.95
Rot. Bonds43

About dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane

dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane (PubChem CID 167572282) has the molecular formula C46H104O9Si3 and a molecular weight of 885.59 g/mol. Its IUPAC name is dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane.

Molecular Properties

Compound Namedodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
PubChem CID167572282
Molecular FormulaC46H104O9Si3
Molecular Weight885.59 g/mol
Exact Mass884.70
IUPAC Namedodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
SMILESCCCCCCCCCCCC[Si](O)(O)O.CCCCCCCCCCCC[Si](OC)(OC)OCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O3Si.C16H36O3Si.C12H28O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-5-7-8-9-10-11-12-13-14-15-16-20(17-3,18-4)19-6-2;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h5-18H2,1-4H3;5-16H2,1-4H3;13-15H,2-12H2,1H3
InChIKeyGBGHEDYULAQNFB-UHFFFAOYSA-N
XLogP13.95
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds43
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.59
LogP ≤ 513.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
dodecyl-diethoxy-methoxysilane
CID 141483107
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(henicosyl)silane
CID 141362894
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
dodecyl(trimethoxy)silane;octane
CID 174570785
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252

Frequently Asked Questions

What is the IUPAC name of dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane?
The IUPAC name of dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane (CID 167572282) is dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane.
What is the SMILES notation for dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane?
The canonical SMILES for dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane is CCCCCCCCCCCC[Si](O)(O)O.CCCCCCCCCCCC[Si](OC)(OC)OCC.CCCCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane?
The InChIKey is GBGHEDYULAQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si.C16H36O3Si.C12H28O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4;1-5-7-8-9-10-11-12-13-14-15-16-20(17-3,18-4)19-6-2;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h5-18H2,1-4H3;5-16H2,1-4H3;13-15H,2-12H2,1H3.
What are the key properties of dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane?
dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane has a molecular weight of 885.59 g/mol, XLogP of 13.95, 43 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane is sourced from PubChem (CID 167572282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).