bromo-ethoxy-hexyl-phenoxysilane

C14H23BrO2Si — CID 140745144

IUPACbromo-ethoxy-hexyl-phenoxysilane
SMILESCCCCCC[Si](Br)(OCC)Oc1ccccc1
InChIInChI=1S/C14H23BrO2Si/c1-3-5-6-10-13-18(15,16-4-2)17-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeySAMTZMOIWLILFL-UHFFFAOYSA-N
MW331.33 g/mol
LogP5.02
Rot. Bonds9

About bromo-ethoxy-hexyl-phenoxysilane

bromo-ethoxy-hexyl-phenoxysilane (PubChem CID 140745144) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is bromo-ethoxy-hexyl-phenoxysilane.

Molecular Properties

Compound Namebromo-ethoxy-hexyl-phenoxysilane
PubChem CID140745144
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Namebromo-ethoxy-hexyl-phenoxysilane
SMILESCCCCCC[Si](Br)(OCC)Oc1ccccc1
InChIInChI=1S/C14H23BrO2Si/c1-3-5-6-10-13-18(15,16-4-2)17-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeySAMTZMOIWLILFL-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

bromo-hexyl-phenoxy-propoxysilane
CID 140745083
diiodo-octyl-phenoxysilane
CID 140744994
butyl-diiodo-phenoxysilane
CID 140745005
triethoxy(5-phenoxypentyl)silane
CID 69261827
ethoxy-diethyl-phenoxysilane
CID 15146062
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
butyl-iodo-methyl-phenoxysilane
CID 154487021
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
ethenyl-methyl-phenoxy-tridecoxysilane
CID 91743893
(4-chlorophenoxy)-trihexylsilane
CID 532625
diethoxy-methyl-undecylsilane
CID 140884401

Frequently Asked Questions

What is the IUPAC name of bromo-ethoxy-hexyl-phenoxysilane?
The IUPAC name of bromo-ethoxy-hexyl-phenoxysilane (CID 140745144) is bromo-ethoxy-hexyl-phenoxysilane.
What is the SMILES notation for bromo-ethoxy-hexyl-phenoxysilane?
The canonical SMILES for bromo-ethoxy-hexyl-phenoxysilane is CCCCCC[Si](Br)(OCC)Oc1ccccc1.
What is the InChIKey of bromo-ethoxy-hexyl-phenoxysilane?
The InChIKey is SAMTZMOIWLILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-3-5-6-10-13-18(15,16-4-2)17-14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3.
What are the key properties of bromo-ethoxy-hexyl-phenoxysilane?
bromo-ethoxy-hexyl-phenoxysilane has a molecular weight of 331.33 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ethoxy-hexyl-phenoxysilane is sourced from PubChem (CID 140745144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).