triethoxy(14-iodotetradecyl)silane

C20H43IO3Si — CID 87686143

IUPACtriethoxy(14-iodotetradecyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCI)(OCC)OCC
InChIInChI=1S/C20H43IO3Si/c1-4-22-25(23-5-2,24-6-3)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21/h4-20H2,1-3H3
InChIKeyFFMZXVGUZZDEAE-UHFFFAOYSA-N
MW486.55 g/mol
LogP7.15
Rot. Bonds20

About triethoxy(14-iodotetradecyl)silane

triethoxy(14-iodotetradecyl)silane (PubChem CID 87686143) has the molecular formula C20H43IO3Si and a molecular weight of 486.55 g/mol. Its IUPAC name is triethoxy(14-iodotetradecyl)silane.

Molecular Properties

Compound Nametriethoxy(14-iodotetradecyl)silane
PubChem CID87686143
Molecular FormulaC20H43IO3Si
Molecular Weight486.55 g/mol
Exact Mass486.20
IUPAC Nametriethoxy(14-iodotetradecyl)silane
SMILESCCO[Si](CCCCCCCCCCCCCCI)(OCC)OCC
InChIInChI=1S/C20H43IO3Si/c1-4-22-25(23-5-2,24-6-3)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21/h4-20H2,1-3H3
InChIKeyFFMZXVGUZZDEAE-UHFFFAOYSA-N
XLogP7.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 57.15
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(14-iodotetradecyl)silane?
The IUPAC name of triethoxy(14-iodotetradecyl)silane (CID 87686143) is triethoxy(14-iodotetradecyl)silane.
What is the SMILES notation for triethoxy(14-iodotetradecyl)silane?
The canonical SMILES for triethoxy(14-iodotetradecyl)silane is CCO[Si](CCCCCCCCCCCCCCI)(OCC)OCC.
What is the InChIKey of triethoxy(14-iodotetradecyl)silane?
The InChIKey is FFMZXVGUZZDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43IO3Si/c1-4-22-25(23-5-2,24-6-3)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21/h4-20H2,1-3H3.
What are the key properties of triethoxy(14-iodotetradecyl)silane?
triethoxy(14-iodotetradecyl)silane has a molecular weight of 486.55 g/mol, XLogP of 7.15, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(14-iodotetradecyl)silane is sourced from PubChem (CID 87686143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).