triethoxy(3-undecylsulfanylpropyl)silane

C20H44O3SSi — CID 173288680

IUPACtriethoxy(3-undecylsulfanylpropyl)silane
SMILESCCCCCCCCCCCSCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H44O3SSi/c1-5-9-10-11-12-13-14-15-16-18-24-19-17-20-25(21-6-2,22-7-3)23-8-4/h5-20H2,1-4H3
InChIKeyFHUNBJZZCQPYDD-UHFFFAOYSA-N
MW392.72 g/mol
LogP6.69
Rot. Bonds20

About triethoxy(3-undecylsulfanylpropyl)silane

triethoxy(3-undecylsulfanylpropyl)silane (PubChem CID 173288680) has the molecular formula C20H44O3SSi and a molecular weight of 392.72 g/mol. Its IUPAC name is triethoxy(3-undecylsulfanylpropyl)silane.

Molecular Properties

Compound Nametriethoxy(3-undecylsulfanylpropyl)silane
PubChem CID173288680
Molecular FormulaC20H44O3SSi
Molecular Weight392.72 g/mol
Exact Mass392.28
IUPAC Nametriethoxy(3-undecylsulfanylpropyl)silane
SMILESCCCCCCCCCCCSCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H44O3SSi/c1-5-9-10-11-12-13-14-15-16-18-24-19-17-20-25(21-6-2,22-7-3)23-8-4/h5-20H2,1-4H3
InChIKeyFHUNBJZZCQPYDD-UHFFFAOYSA-N
XLogP6.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

S-[6-(3-triethoxysilylpropylsulfanyl)hexyl] hexadecanethioate
CID 175709984
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
S-[3-(3-triethoxysilylpropylsulfanyl)propyl] octanethioate
CID 175709992
S-[3-(3-triethoxysilylpropylsulfanyl)propyl] hexadecanethioate
CID 175710005
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
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178

Frequently Asked Questions

What is the IUPAC name of triethoxy(3-undecylsulfanylpropyl)silane?
The IUPAC name of triethoxy(3-undecylsulfanylpropyl)silane (CID 173288680) is triethoxy(3-undecylsulfanylpropyl)silane.
What is the SMILES notation for triethoxy(3-undecylsulfanylpropyl)silane?
The canonical SMILES for triethoxy(3-undecylsulfanylpropyl)silane is CCCCCCCCCCCSCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(3-undecylsulfanylpropyl)silane?
The InChIKey is FHUNBJZZCQPYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3SSi/c1-5-9-10-11-12-13-14-15-16-18-24-19-17-20-25(21-6-2,22-7-3)23-8-4/h5-20H2,1-4H3.
What are the key properties of triethoxy(3-undecylsulfanylpropyl)silane?
triethoxy(3-undecylsulfanylpropyl)silane has a molecular weight of 392.72 g/mol, XLogP of 6.69, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3-undecylsulfanylpropyl)silane is sourced from PubChem (CID 173288680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).