ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane

C20H41F3O3Si — CID 150049820

IUPACethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OCC)OC(F)(F)F
InChIInChI=1S/C20H41F3O3Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(24-3,25-5-2)26-20(21,22)23/h4-19H2,1-3H3
InChIKeyDLBKXGBWMZUYAF-UHFFFAOYSA-N
MW414.63 g/mol
LogP7.63
Rot. Bonds19

About ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane

ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane (PubChem CID 150049820) has the molecular formula C20H41F3O3Si and a molecular weight of 414.63 g/mol. Its IUPAC name is ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane.

Molecular Properties

Compound Nameethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane
PubChem CID150049820
Molecular FormulaC20H41F3O3Si
Molecular Weight414.63 g/mol
Exact Mass414.28
IUPAC Nameethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OCC)OC(F)(F)F
InChIInChI=1S/C20H41F3O3Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(24-3,25-5-2)26-20(21,22)23/h4-19H2,1-3H3
InChIKeyDLBKXGBWMZUYAF-UHFFFAOYSA-N
XLogP7.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.63
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

dodecyl-diethoxy-methoxysilane
CID 141483107
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
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
dodecyl(trimethoxy)silane;octane
CID 174570785
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398

Frequently Asked Questions

What is the IUPAC name of ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane?
The IUPAC name of ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane (CID 150049820) is ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane.
What is the SMILES notation for ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane?
The canonical SMILES for ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane is CCCCCCCCCCCCCCCC[Si](OC)(OCC)OC(F)(F)F.
What is the InChIKey of ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane?
The InChIKey is DLBKXGBWMZUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F3O3Si/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(24-3,25-5-2)26-20(21,22)23/h4-19H2,1-3H3.
What are the key properties of ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane?
ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane has a molecular weight of 414.63 g/mol, XLogP of 7.63, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hexadecyl-methoxy-(trifluoromethoxy)silane is sourced from PubChem (CID 150049820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).