tri(undecoxy)silane

C33H70O3Si — CID 123875078

IUPACtri(undecoxy)silane
SMILESCCCCCCCCCCCO[SiH](OCCCCCCCCCCC)OCCCCCCCCCCC
InChIInChI=1S/C33H70O3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h37H,4-33H2,1-3H3
InChIKeyOQUIGYYQRURORG-UHFFFAOYSA-N
MW543.01 g/mol
LogP11.35
Rot. Bonds33

About tri(undecoxy)silane

tri(undecoxy)silane (PubChem CID 123875078) has the molecular formula C33H70O3Si and a molecular weight of 543.01 g/mol. Its IUPAC name is tri(undecoxy)silane.

Molecular Properties

Compound Nametri(undecoxy)silane
PubChem CID123875078
Molecular FormulaC33H70O3Si
Molecular Weight543.01 g/mol
Exact Mass542.51
IUPAC Nametri(undecoxy)silane
SMILESCCCCCCCCCCCO[SiH](OCCCCCCCCCCC)OCCCCCCCCCCC
InChIInChI=1S/C33H70O3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h37H,4-33H2,1-3H3
InChIKeyOQUIGYYQRURORG-UHFFFAOYSA-N
XLogP11.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.01
LogP ≤ 511.35
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'}

Analyze tri(undecoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecoxy-di(propan-2-yloxy)silane
CID 175421908
ethenoxy(dioctoxy)silane
CID 175242689
hexadecane;triethoxysilane
CID 164978259
didodecoxy(hydroxy)silane
CID 173157233
chloro(dihexoxy)silane
CID 154357629
dibutyl(tetradecoxy)silane
CID 175185035
butoxy(diethoxy)silane;methanamine
CID 173001020
hydroxy-nonadecoxy-silylsilane
CID 173155856
decane;ruthenium
CID 160818595
6,6-dichlorohexoxy(dipropoxy)silane
CID 173438179
methyl-octadecoxy-silyloxysilane
CID 173021767
dipentoxy(propyl)silane
CID 123345702

Frequently Asked Questions

What is the IUPAC name of tri(undecoxy)silane?
The IUPAC name of tri(undecoxy)silane (CID 123875078) is tri(undecoxy)silane.
What is the SMILES notation for tri(undecoxy)silane?
The canonical SMILES for tri(undecoxy)silane is CCCCCCCCCCCO[SiH](OCCCCCCCCCCC)OCCCCCCCCCCC.
What is the InChIKey of tri(undecoxy)silane?
The InChIKey is OQUIGYYQRURORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70O3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h37H,4-33H2,1-3H3.
What are the key properties of tri(undecoxy)silane?
tri(undecoxy)silane has a molecular weight of 543.01 g/mol, XLogP of 11.35, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(undecoxy)silane is sourced from PubChem (CID 123875078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).