bromo-chloro-octyl-propoxysilane

C11H24BrClOSi — CID 140744954

IUPACbromo-chloro-octyl-propoxysilane
SMILESCCCCCCCC[Si](Cl)(Br)OCCC
InChIInChI=1S/C11H24BrClOSi/c1-3-5-6-7-8-9-11-15(12,13)14-10-4-2/h3-11H2,1-2H3
InChIKeyMZYUOJUGZBQVAI-UHFFFAOYSA-N
MW315.76 g/mol
LogP5.35
Rot. Bonds10

About bromo-chloro-octyl-propoxysilane

bromo-chloro-octyl-propoxysilane (PubChem CID 140744954) has the molecular formula C11H24BrClOSi and a molecular weight of 315.76 g/mol. Its IUPAC name is bromo-chloro-octyl-propoxysilane.

Molecular Properties

Compound Namebromo-chloro-octyl-propoxysilane
PubChem CID140744954
Molecular FormulaC11H24BrClOSi
Molecular Weight315.76 g/mol
Exact Mass314.05
IUPAC Namebromo-chloro-octyl-propoxysilane
SMILESCCCCCCCC[Si](Cl)(Br)OCCC
InChIInChI=1S/C11H24BrClOSi/c1-3-5-6-7-8-9-11-15(12,13)14-10-4-2/h3-11H2,1-2H3
InChIKeyMZYUOJUGZBQVAI-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.76
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 bromo-chloro-octyl-propoxysilane?
The IUPAC name of bromo-chloro-octyl-propoxysilane (CID 140744954) is bromo-chloro-octyl-propoxysilane.
What is the SMILES notation for bromo-chloro-octyl-propoxysilane?
The canonical SMILES for bromo-chloro-octyl-propoxysilane is CCCCCCCC[Si](Cl)(Br)OCCC.
What is the InChIKey of bromo-chloro-octyl-propoxysilane?
The InChIKey is MZYUOJUGZBQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrClOSi/c1-3-5-6-7-8-9-11-15(12,13)14-10-4-2/h3-11H2,1-2H3.
What are the key properties of bromo-chloro-octyl-propoxysilane?
bromo-chloro-octyl-propoxysilane has a molecular weight of 315.76 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-chloro-octyl-propoxysilane is sourced from PubChem (CID 140744954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).