7-bromoheptyl(diethoxy)silane

C11H25BrO2Si — CID 174144161

IUPAC7-bromoheptyl(diethoxy)silane
SMILESCCO[SiH](CCCCCCCBr)OCC
InChIInChI=1S/C11H25BrO2Si/c1-3-13-15(14-4-2)11-9-7-5-6-8-10-12/h15H,3-11H2,1-2H3
InChIKeyLALBWXSXBXPHDS-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.63
Rot. Bonds11

About 7-bromoheptyl(diethoxy)silane

7-bromoheptyl(diethoxy)silane (PubChem CID 174144161) has the molecular formula C11H25BrO2Si and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-bromoheptyl(diethoxy)silane.

Molecular Properties

Compound Name7-bromoheptyl(diethoxy)silane
PubChem CID174144161
Molecular FormulaC11H25BrO2Si
Molecular Weight297.31 g/mol
Exact Mass296.08
IUPAC Name7-bromoheptyl(diethoxy)silane
SMILESCCO[SiH](CCCCCCCBr)OCC
InChIInChI=1S/C11H25BrO2Si/c1-3-13-15(14-4-2)11-9-7-5-6-8-10-12/h15H,3-11H2,1-2H3
InChIKeyLALBWXSXBXPHDS-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromoheptyl(diethoxy)silane?
The IUPAC name of 7-bromoheptyl(diethoxy)silane (CID 174144161) is 7-bromoheptyl(diethoxy)silane.
What is the SMILES notation for 7-bromoheptyl(diethoxy)silane?
The canonical SMILES for 7-bromoheptyl(diethoxy)silane is CCO[SiH](CCCCCCCBr)OCC.
What is the InChIKey of 7-bromoheptyl(diethoxy)silane?
The InChIKey is LALBWXSXBXPHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrO2Si/c1-3-13-15(14-4-2)11-9-7-5-6-8-10-12/h15H,3-11H2,1-2H3.
What are the key properties of 7-bromoheptyl(diethoxy)silane?
7-bromoheptyl(diethoxy)silane has a molecular weight of 297.31 g/mol, XLogP of 3.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoheptyl(diethoxy)silane is sourced from PubChem (CID 174144161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).