benzyl-(8-chlorooctoxy)-dimethylsilane

C17H29ClOSi — CID 91694759

IUPACbenzyl-(8-chlorooctoxy)-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCCCCCCCCCl
InChIInChI=1S/C17H29ClOSi/c1-20(2,16-17-12-8-7-9-13-17)19-15-11-6-4-3-5-10-14-18/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
InChIKeyBYQYHXDQWRKVGZ-UHFFFAOYSA-N
MW312.96 g/mol
LogP5.57
Rot. Bonds11

About benzyl-(8-chlorooctoxy)-dimethylsilane

benzyl-(8-chlorooctoxy)-dimethylsilane (PubChem CID 91694759) has the molecular formula C17H29ClOSi and a molecular weight of 312.96 g/mol. Its IUPAC name is benzyl-(8-chlorooctoxy)-dimethylsilane.

Molecular Properties

Compound Namebenzyl-(8-chlorooctoxy)-dimethylsilane
PubChem CID91694759
Molecular FormulaC17H29ClOSi
Molecular Weight312.96 g/mol
Exact Mass312.17
IUPAC Namebenzyl-(8-chlorooctoxy)-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCCCCCCCCCl
InChIInChI=1S/C17H29ClOSi/c1-20(2,16-17-12-8-7-9-13-17)19-15-11-6-4-3-5-10-14-18/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
InChIKeyBYQYHXDQWRKVGZ-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.96
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzyl-(8-chlorooctoxy)-dimethylsilane?
The IUPAC name of benzyl-(8-chlorooctoxy)-dimethylsilane (CID 91694759) is benzyl-(8-chlorooctoxy)-dimethylsilane.
What is the SMILES notation for benzyl-(8-chlorooctoxy)-dimethylsilane?
The canonical SMILES for benzyl-(8-chlorooctoxy)-dimethylsilane is C[Si](C)(Cc1ccccc1)OCCCCCCCCCl.
What is the InChIKey of benzyl-(8-chlorooctoxy)-dimethylsilane?
The InChIKey is BYQYHXDQWRKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClOSi/c1-20(2,16-17-12-8-7-9-13-17)19-15-11-6-4-3-5-10-14-18/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3.
What are the key properties of benzyl-(8-chlorooctoxy)-dimethylsilane?
benzyl-(8-chlorooctoxy)-dimethylsilane has a molecular weight of 312.96 g/mol, XLogP of 5.57, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(8-chlorooctoxy)-dimethylsilane is sourced from PubChem (CID 91694759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).