(3-bromophenyl)-triethoxysilane

C12H19BrO3Si — CID 68740419

IUPAC(3-bromophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(Br)c1
InChIInChI=1S/C12H19BrO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3
InChIKeyRDQAJYSDODLQTD-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.70
Rot. Bonds7

About (3-bromophenyl)-triethoxysilane

(3-bromophenyl)-triethoxysilane (PubChem CID 68740419) has the molecular formula C12H19BrO3Si and a molecular weight of 319.27 g/mol. Its IUPAC name is (3-bromophenyl)-triethoxysilane.

Molecular Properties

Compound Name(3-bromophenyl)-triethoxysilane
PubChem CID68740419
Molecular FormulaC12H19BrO3Si
Molecular Weight319.27 g/mol
Exact Mass318.03
IUPAC Name(3-bromophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(Br)c1
InChIInChI=1S/C12H19BrO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3
InChIKeyRDQAJYSDODLQTD-UHFFFAOYSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-triethoxysilane?
The IUPAC name of (3-bromophenyl)-triethoxysilane (CID 68740419) is (3-bromophenyl)-triethoxysilane.
What is the SMILES notation for (3-bromophenyl)-triethoxysilane?
The canonical SMILES for (3-bromophenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-triethoxysilane?
The InChIKey is RDQAJYSDODLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-8-11(13)10-12/h7-10H,4-6H2,1-3H3.
What are the key properties of (3-bromophenyl)-triethoxysilane?
(3-bromophenyl)-triethoxysilane has a molecular weight of 319.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-triethoxysilane is sourced from PubChem (CID 68740419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).