trimethoxy(pentacontyl)silane

C53H110O3Si — CID 87930715

IUPACtrimethoxy(pentacontyl)silane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C53H110O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-57(54-2,55-3)56-4/h5-53H2,1-4H3
InChIKeyYIHKTVVADKLUCT-UHFFFAOYSA-N
MW823.55 g/mol
LogP19.61
Rot. Bonds52

About trimethoxy(pentacontyl)silane

trimethoxy(pentacontyl)silane (PubChem CID 87930715) has the molecular formula C53H110O3Si and a molecular weight of 823.55 g/mol. Its IUPAC name is trimethoxy(pentacontyl)silane.

Molecular Properties

Compound Nametrimethoxy(pentacontyl)silane
PubChem CID87930715
Molecular FormulaC53H110O3Si
Molecular Weight823.55 g/mol
Exact Mass822.82
IUPAC Nametrimethoxy(pentacontyl)silane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C53H110O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-57(54-2,55-3)56-4/h5-53H2,1-4H3
InChIKeyYIHKTVVADKLUCT-UHFFFAOYSA-N
XLogP19.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds52
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.55
LogP ≤ 519.61
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
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
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
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705

Frequently Asked Questions

What is the IUPAC name of trimethoxy(pentacontyl)silane?
The IUPAC name of trimethoxy(pentacontyl)silane (CID 87930715) is trimethoxy(pentacontyl)silane.
What is the SMILES notation for trimethoxy(pentacontyl)silane?
The canonical SMILES for trimethoxy(pentacontyl)silane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy(pentacontyl)silane?
The InChIKey is YIHKTVVADKLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H110O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-57(54-2,55-3)56-4/h5-53H2,1-4H3.
What are the key properties of trimethoxy(pentacontyl)silane?
trimethoxy(pentacontyl)silane has a molecular weight of 823.55 g/mol, XLogP of 19.61, 52 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(pentacontyl)silane is sourced from PubChem (CID 87930715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).