bromo-hexyl-phenoxy-propoxysilane

C15H25BrO2Si — CID 140745083

IUPACbromo-hexyl-phenoxy-propoxysilane
SMILESCCCCCC[Si](Br)(OCCC)Oc1ccccc1
InChIInChI=1S/C15H25BrO2Si/c1-3-5-6-10-14-19(16,17-13-4-2)18-15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3
InChIKeyICAGFBKRSMBOOR-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.41
Rot. Bonds10

About bromo-hexyl-phenoxy-propoxysilane

bromo-hexyl-phenoxy-propoxysilane (PubChem CID 140745083) has the molecular formula C15H25BrO2Si and a molecular weight of 345.35 g/mol. Its IUPAC name is bromo-hexyl-phenoxy-propoxysilane.

Molecular Properties

Compound Namebromo-hexyl-phenoxy-propoxysilane
PubChem CID140745083
Molecular FormulaC15H25BrO2Si
Molecular Weight345.35 g/mol
Exact Mass344.08
IUPAC Namebromo-hexyl-phenoxy-propoxysilane
SMILESCCCCCC[Si](Br)(OCCC)Oc1ccccc1
InChIInChI=1S/C15H25BrO2Si/c1-3-5-6-10-14-19(16,17-13-4-2)18-15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3
InChIKeyICAGFBKRSMBOOR-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.41
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-ethoxy-hexyl-phenoxysilane
CID 140745144
diiodo-octyl-phenoxysilane
CID 140744994
pentoxybenzene;undecane
CID 174778179
butyl-diiodo-phenoxysilane
CID 140745005
ethenyl-methyl-phenoxy-tridecoxysilane
CID 91743893
decyl-methyl-dipropoxysilane
CID 22228658
hexadecyl-methyl-dipropoxysilane
CID 22228671
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
bromo-chloro-octyl-propoxysilane
CID 140744954
butyl-iodo-methyl-phenoxysilane
CID 154487021
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735
bis(decane);phenoxyphosphane
CID 91140487

Frequently Asked Questions

What is the IUPAC name of bromo-hexyl-phenoxy-propoxysilane?
The IUPAC name of bromo-hexyl-phenoxy-propoxysilane (CID 140745083) is bromo-hexyl-phenoxy-propoxysilane.
What is the SMILES notation for bromo-hexyl-phenoxy-propoxysilane?
The canonical SMILES for bromo-hexyl-phenoxy-propoxysilane is CCCCCC[Si](Br)(OCCC)Oc1ccccc1.
What is the InChIKey of bromo-hexyl-phenoxy-propoxysilane?
The InChIKey is ICAGFBKRSMBOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2Si/c1-3-5-6-10-14-19(16,17-13-4-2)18-15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3.
What are the key properties of bromo-hexyl-phenoxy-propoxysilane?
bromo-hexyl-phenoxy-propoxysilane has a molecular weight of 345.35 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-hexyl-phenoxy-propoxysilane is sourced from PubChem (CID 140745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).