tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane

C15H24ClFO2Si — CID 141107768

IUPACtert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCOc1c(F)cccc1Cl
InChIInChI=1S/C15H24ClFO2Si/c1-15(2,3)20(4,5)19-11-7-10-18-14-12(16)8-6-9-13(14)17/h6,8-9H,7,10-11H2,1-5H3
InChIKeyJJAZZVRILTZKAG-UHFFFAOYSA-N
MW318.89 g/mol
LogP5.27
Rot. Bonds6

About tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane

tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane (PubChem CID 141107768) has the molecular formula C15H24ClFO2Si and a molecular weight of 318.89 g/mol. Its IUPAC name is tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
PubChem CID141107768
Molecular FormulaC15H24ClFO2Si
Molecular Weight318.89 g/mol
Exact Mass318.12
IUPAC Nametert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCOc1c(F)cccc1Cl
InChIInChI=1S/C15H24ClFO2Si/c1-15(2,3)20(4,5)19-11-7-10-18-14-12(16)8-6-9-13(14)17/h6,8-9H,7,10-11H2,1-5H3
InChIKeyJJAZZVRILTZKAG-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.89
LogP ≤ 55.27
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane (CID 141107768) is tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCOc1c(F)cccc1Cl.
What is the InChIKey of tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane?
The InChIKey is JJAZZVRILTZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFO2Si/c1-15(2,3)20(4,5)19-11-7-10-18-14-12(16)8-6-9-13(14)17/h6,8-9H,7,10-11H2,1-5H3.
What are the key properties of tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane?
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane has a molecular weight of 318.89 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane is sourced from PubChem (CID 141107768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).