tri(icosoxy)-methylsilane

C61H126O3Si — CID 163923848

IUPACtri(icosoxy)-methylsilane
SMILESCCCCCCCCCCCCCCCCCCCCO[Si](C)(OCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C61H126O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-65(4,63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-61H2,1-4H3
InChIKeyRCTBAMHQFIFTGG-UHFFFAOYSA-N
MW935.76 g/mol
LogP22.73
Rot. Bonds60

About tri(icosoxy)-methylsilane

tri(icosoxy)-methylsilane (PubChem CID 163923848) has the molecular formula C61H126O3Si and a molecular weight of 935.76 g/mol. Its IUPAC name is tri(icosoxy)-methylsilane.

Molecular Properties

Compound Nametri(icosoxy)-methylsilane
PubChem CID163923848
Molecular FormulaC61H126O3Si
Molecular Weight935.76 g/mol
Exact Mass934.95
IUPAC Nametri(icosoxy)-methylsilane
SMILESCCCCCCCCCCCCCCCCCCCCO[Si](C)(OCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C61H126O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-65(4,63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-61H2,1-4H3
InChIKeyRCTBAMHQFIFTGG-UHFFFAOYSA-N
XLogP22.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds60
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.76
LogP ≤ 522.73
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

triheptoxy(methyl)silane
CID 525768
methyl-tris(octadec-9-enoxy)silane
CID 91284347
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tributyl octyl silicate
CID 141280761
butyl-dimethyl-octoxysilane
CID 604386
hexadecoxy-dimethyl-octylsilane
CID 627002
bis[[hexoxy(dimethyl)silyl]oxy]-dimethylsilane
CID 22506143
dodecoxy-dimethyl-octylsilane
CID 618139

Frequently Asked Questions

What is the IUPAC name of tri(icosoxy)-methylsilane?
The IUPAC name of tri(icosoxy)-methylsilane (CID 163923848) is tri(icosoxy)-methylsilane.
What is the SMILES notation for tri(icosoxy)-methylsilane?
The canonical SMILES for tri(icosoxy)-methylsilane is CCCCCCCCCCCCCCCCCCCCO[Si](C)(OCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of tri(icosoxy)-methylsilane?
The InChIKey is RCTBAMHQFIFTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H126O3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-65(4,63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-61H2,1-4H3.
What are the key properties of tri(icosoxy)-methylsilane?
tri(icosoxy)-methylsilane has a molecular weight of 935.76 g/mol, XLogP of 22.73, 60 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(icosoxy)-methylsilane is sourced from PubChem (CID 163923848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).