tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane

C16H32F2OSi — CID 102019628

IUPACtert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F
InChIInChI=1S/C16H32F2OSi/c1-8-9-10-11-12-14(13(2)15(17)18)19-20(6,7)16(3,4)5/h14H,8-12H2,1-7H3
InChIKeyVFSZYWGVICFHCP-UHFFFAOYSA-N
MW306.51 g/mol
LogP6.52
Rot. Bonds8

About tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane

tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane (PubChem CID 102019628) has the molecular formula C16H32F2OSi and a molecular weight of 306.51 g/mol. Its IUPAC name is tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane
PubChem CID102019628
Molecular FormulaC16H32F2OSi
Molecular Weight306.51 g/mol
Exact Mass306.22
IUPAC Nametert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane
SMILESCCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F
InChIInChI=1S/C16H32F2OSi/c1-8-9-10-11-12-14(13(2)15(17)18)19-20(6,7)16(3,4)5/h14H,8-12H2,1-7H3
InChIKeyVFSZYWGVICFHCP-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.51
LogP ≤ 56.52
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane (CID 102019628) is tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane is CCCCCCC(O[Si](C)(C)C(C)(C)C)C(C)=C(F)F.
What is the InChIKey of tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane?
The InChIKey is VFSZYWGVICFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2OSi/c1-8-9-10-11-12-14(13(2)15(17)18)19-20(6,7)16(3,4)5/h14H,8-12H2,1-7H3.
What are the key properties of tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane?
tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane has a molecular weight of 306.51 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,1-difluoro-2-methylnon-1-en-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 102019628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).