triethoxy(octadecyl)silane;trimethoxy(methyl)silane

C28H64O6Si2 — CID 174457559

IUPACtriethoxy(octadecyl)silane;trimethoxy(methyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.CO[Si](C)(OC)OC
InChIInChI=1S/C24H52O3Si.C4H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4;1-5-8(4,6-2)7-3/h5-24H2,1-4H3;1-4H3
InChIKeyFPBUCFWNGCKIPG-UHFFFAOYSA-N
MW552.99 g/mol
LogP8.79
Rot. Bonds26

About triethoxy(octadecyl)silane;trimethoxy(methyl)silane

triethoxy(octadecyl)silane;trimethoxy(methyl)silane (PubChem CID 174457559) has the molecular formula C28H64O6Si2 and a molecular weight of 552.99 g/mol. Its IUPAC name is triethoxy(octadecyl)silane;trimethoxy(methyl)silane.

Molecular Properties

Compound Nametriethoxy(octadecyl)silane;trimethoxy(methyl)silane
PubChem CID174457559
Molecular FormulaC28H64O6Si2
Molecular Weight552.99 g/mol
Exact Mass552.42
IUPAC Nametriethoxy(octadecyl)silane;trimethoxy(methyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.CO[Si](C)(OC)OC
InChIInChI=1S/C24H52O3Si.C4H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4;1-5-8(4,6-2)7-3/h5-24H2,1-4H3;1-4H3
InChIKeyFPBUCFWNGCKIPG-UHFFFAOYSA-N
XLogP8.79
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.99
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
dodecyl-diethoxy-methoxysilane
CID 141483107
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
CID 167572282
1-fluorotridecane;triethoxy(octyl)silane
CID 175426925

Frequently Asked Questions

What is the IUPAC name of triethoxy(octadecyl)silane;trimethoxy(methyl)silane?
The IUPAC name of triethoxy(octadecyl)silane;trimethoxy(methyl)silane (CID 174457559) is triethoxy(octadecyl)silane;trimethoxy(methyl)silane.
What is the SMILES notation for triethoxy(octadecyl)silane;trimethoxy(methyl)silane?
The canonical SMILES for triethoxy(octadecyl)silane;trimethoxy(methyl)silane is CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.CO[Si](C)(OC)OC.
What is the InChIKey of triethoxy(octadecyl)silane;trimethoxy(methyl)silane?
The InChIKey is FPBUCFWNGCKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O3Si.C4H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4;1-5-8(4,6-2)7-3/h5-24H2,1-4H3;1-4H3.
What are the key properties of triethoxy(octadecyl)silane;trimethoxy(methyl)silane?
triethoxy(octadecyl)silane;trimethoxy(methyl)silane has a molecular weight of 552.99 g/mol, XLogP of 8.79, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(octadecyl)silane;trimethoxy(methyl)silane is sourced from PubChem (CID 174457559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).