tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane

C15H30F2OSi — CID 102019626

IUPACtert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane
SMILESCCCCCC(=C(F)F)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30F2OSi/c1-8-9-10-11-13(14(16)17)12(2)18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeyQFIONZYJDXIAOL-UHFFFAOYSA-N
MW292.49 g/mol
LogP6.13
Rot. Bonds7

About tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane

tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane (PubChem CID 102019626) has the molecular formula C15H30F2OSi and a molecular weight of 292.49 g/mol. Its IUPAC name is tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane
PubChem CID102019626
Molecular FormulaC15H30F2OSi
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Nametert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane
SMILESCCCCCC(=C(F)F)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30F2OSi/c1-8-9-10-11-13(14(16)17)12(2)18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKeyQFIONZYJDXIAOL-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[2-(trifluoromethyl)hept-1-en-3-yloxy]silane
CID 24888476
Tert-butyl-(4,4-difluorodec-1-en-3-yloxy)-dimethylsilane
CID 140988825
Ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane
CID 173303854
2-(Difluoromethylidene)heptoxy-trimethylsilane
CID 101268633
Tert-butyl-(1,1-difluoro-2-methylhept-1-en-3-yl)oxy-dimethylsilane
CID 102019627
Tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane
CID 102019628
Tert-butyl-(1,1-difluoronon-1-en-3-yloxy)-dimethylsilane
CID 102019640

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane (CID 102019626) is tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane is CCCCCC(=C(F)F)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane?
The InChIKey is QFIONZYJDXIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2OSi/c1-8-9-10-11-13(14(16)17)12(2)18-19(6,7)15(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane?
tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane has a molecular weight of 292.49 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(difluoromethylidene)octan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 102019626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).