triethoxy(18,18,18-tribromooctadecyl)silane

C24H49Br3O3Si — CID 140708887

IUPACtriethoxy(18,18,18-tribromooctadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCC(Br)(Br)Br)(OCC)OCC
InChIInChI=1S/C24H49Br3O3Si/c1-4-28-31(29-5-2,30-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25,26)27/h4-23H2,1-3H3
InChIKeyBOZLTUPYMOZCSN-UHFFFAOYSA-N
MW653.45 g/mol
LogP10.11
Rot. Bonds23

About triethoxy(18,18,18-tribromooctadecyl)silane

triethoxy(18,18,18-tribromooctadecyl)silane (PubChem CID 140708887) has the molecular formula C24H49Br3O3Si and a molecular weight of 653.45 g/mol. Its IUPAC name is triethoxy(18,18,18-tribromooctadecyl)silane.

Molecular Properties

Compound Nametriethoxy(18,18,18-tribromooctadecyl)silane
PubChem CID140708887
Molecular FormulaC24H49Br3O3Si
Molecular Weight653.45 g/mol
Exact Mass650.10
IUPAC Nametriethoxy(18,18,18-tribromooctadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCCCCC(Br)(Br)Br)(OCC)OCC
InChIInChI=1S/C24H49Br3O3Si/c1-4-28-31(29-5-2,30-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25,26)27/h4-23H2,1-3H3
InChIKeyBOZLTUPYMOZCSN-UHFFFAOYSA-N
XLogP10.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.45
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
18-bromooctadecyl(triethoxy)silane
CID 87686820
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
2,2-dioctyldecoxy-diethoxy-octylsilane
CID 154020253
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
20-triethoxysilylicosane-1-thiol
CID 87684173
37-triethoxysilylheptatriacontan-1-ol
CID 87684596

Frequently Asked Questions

What is the IUPAC name of triethoxy(18,18,18-tribromooctadecyl)silane?
The IUPAC name of triethoxy(18,18,18-tribromooctadecyl)silane (CID 140708887) is triethoxy(18,18,18-tribromooctadecyl)silane.
What is the SMILES notation for triethoxy(18,18,18-tribromooctadecyl)silane?
The canonical SMILES for triethoxy(18,18,18-tribromooctadecyl)silane is CCO[Si](CCCCCCCCCCCCCCCCCC(Br)(Br)Br)(OCC)OCC.
What is the InChIKey of triethoxy(18,18,18-tribromooctadecyl)silane?
The InChIKey is BOZLTUPYMOZCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49Br3O3Si/c1-4-28-31(29-5-2,30-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25,26)27/h4-23H2,1-3H3.
What are the key properties of triethoxy(18,18,18-tribromooctadecyl)silane?
triethoxy(18,18,18-tribromooctadecyl)silane has a molecular weight of 653.45 g/mol, XLogP of 10.11, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(18,18,18-tribromooctadecyl)silane is sourced from PubChem (CID 140708887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).