dibromo-ethoxy-(2,3,4-tribromophenoxy)silane

C8H7Br5O2Si — CID 150127406

IUPACdibromo-ethoxy-(2,3,4-tribromophenoxy)silane
SMILESCCO[Si](Br)(Br)Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C8H7Br5O2Si/c1-2-14-16(12,13)15-6-4-3-5(9)7(10)8(6)11/h3-4H,2H2,1H3
InChIKeyFANCRYWIVOSZNL-UHFFFAOYSA-N
MW562.75 g/mol
LogP5.61
Rot. Bonds4

About dibromo-ethoxy-(2,3,4-tribromophenoxy)silane

dibromo-ethoxy-(2,3,4-tribromophenoxy)silane (PubChem CID 150127406) has the molecular formula C8H7Br5O2Si and a molecular weight of 562.75 g/mol. Its IUPAC name is dibromo-ethoxy-(2,3,4-tribromophenoxy)silane.

Molecular Properties

Compound Namedibromo-ethoxy-(2,3,4-tribromophenoxy)silane
PubChem CID150127406
Molecular FormulaC8H7Br5O2Si
Molecular Weight562.75 g/mol
Exact Mass557.61
IUPAC Namedibromo-ethoxy-(2,3,4-tribromophenoxy)silane
SMILESCCO[Si](Br)(Br)Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C8H7Br5O2Si/c1-2-14-16(12,13)15-6-4-3-5(9)7(10)8(6)11/h3-4H,2H2,1H3
InChIKeyFANCRYWIVOSZNL-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.75
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibromo-ethoxy-(2,3,4-tribromophenoxy)silane?
The IUPAC name of dibromo-ethoxy-(2,3,4-tribromophenoxy)silane (CID 150127406) is dibromo-ethoxy-(2,3,4-tribromophenoxy)silane.
What is the SMILES notation for dibromo-ethoxy-(2,3,4-tribromophenoxy)silane?
The canonical SMILES for dibromo-ethoxy-(2,3,4-tribromophenoxy)silane is CCO[Si](Br)(Br)Oc1ccc(Br)c(Br)c1Br.
What is the InChIKey of dibromo-ethoxy-(2,3,4-tribromophenoxy)silane?
The InChIKey is FANCRYWIVOSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br5O2Si/c1-2-14-16(12,13)15-6-4-3-5(9)7(10)8(6)11/h3-4H,2H2,1H3.
What are the key properties of dibromo-ethoxy-(2,3,4-tribromophenoxy)silane?
dibromo-ethoxy-(2,3,4-tribromophenoxy)silane has a molecular weight of 562.75 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-ethoxy-(2,3,4-tribromophenoxy)silane is sourced from PubChem (CID 150127406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).