tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane

C14H26F2OSi — CID 134863349

IUPACtert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCCCC1C=C(O[Si](C)(C)C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C14H26F2OSi/c1-7-8-11-9-12(14(15,16)10-11)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyBYPJDKYFDSEGMJ-UHFFFAOYSA-N
MW276.44 g/mol
LogP5.35
Rot. Bonds4

About tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane

tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane (PubChem CID 134863349) has the molecular formula C14H26F2OSi and a molecular weight of 276.44 g/mol. Its IUPAC name is tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
PubChem CID134863349
Molecular FormulaC14H26F2OSi
Molecular Weight276.44 g/mol
Exact Mass276.17
IUPAC Nametert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCCCC1C=C(O[Si](C)(C)C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C14H26F2OSi/c1-7-8-11-9-12(14(15,16)10-11)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyBYPJDKYFDSEGMJ-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane (CID 134863349) is tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane is CCCC1C=C(O[Si](C)(C)C(C)(C)C)C(F)(F)C1.
What is the InChIKey of tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
The InChIKey is BYPJDKYFDSEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2OSi/c1-7-8-11-9-12(14(15,16)10-11)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane?
tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane has a molecular weight of 276.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 134863349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).