(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane

C13H28F2OSi — CID 172550767

IUPAC(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane
SMILESCCCCC(F)(F)C(CC)(CC)O[Si](C)(C)C
InChIInChI=1S/C13H28F2OSi/c1-7-10-11-13(14,15)12(8-2,9-3)16-17(4,5)6/h7-11H2,1-6H3
InChIKeyVUUJADGHBQGQQI-UHFFFAOYSA-N
MW266.45 g/mol
LogP5.22
Rot. Bonds8

About (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane

(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane (PubChem CID 172550767) has the molecular formula C13H28F2OSi and a molecular weight of 266.45 g/mol. Its IUPAC name is (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane
PubChem CID172550767
Molecular FormulaC13H28F2OSi
Molecular Weight266.45 g/mol
Exact Mass266.19
IUPAC Name(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane
SMILESCCCCC(F)(F)C(CC)(CC)O[Si](C)(C)C
InChIInChI=1S/C13H28F2OSi/c1-7-10-11-13(14,15)12(8-2,9-3)16-17(4,5)6/h7-11H2,1-6H3
InChIKeyVUUJADGHBQGQQI-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[1-(trifluoromethyl)cyclohexyl]oxysilane
CID 101492688
[1-(1,1,2,3,3,3-Hexafluoropropyl)cyclopentyl]oxy-trimethylsilane
CID 10542819
Triethyl-[1-(trifluoromethyl)cyclohexyl]oxysilane
CID 20061995
(6-Dimethylsilyloxy-1,1,1-trifluoro-4,5,6-trimethylheptan-4-yl)-dimethylsilane
CID 60119330
Dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane
CID 161089148
5-Methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane
CID 173144667
6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-Heptadecafluorodecyl)-2,2,6-trimethyloxasilinane
CID 174989694
2,2,6-Triethyl-6-(1-fluoropentyl)oxasilinane
CID 175045684
6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-2,2,6-trimethyloxasilinane
CID 175469731
Trimethyl-[1,1,1,2,2,3,3,4,4,5,5,6,6,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-triacontafluoro-7-(trifluoromethyl)pentadecan-7-yl]oxysilane
CID 102003082
Trimethyl(5-methyldecan-5-yloxy)silane
CID 11230306
Trimethyl(3-methyloctan-3-yloxy)silane
CID 101865764

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane?
The IUPAC name of (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane (CID 172550767) is (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane?
The canonical SMILES for (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane is CCCCC(F)(F)C(CC)(CC)O[Si](C)(C)C.
What is the InChIKey of (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane?
The InChIKey is VUUJADGHBQGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F2OSi/c1-7-10-11-13(14,15)12(8-2,9-3)16-17(4,5)6/h7-11H2,1-6H3.
What are the key properties of (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane?
(3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane has a molecular weight of 266.45 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,4-difluorooctan-3-yl)oxy-trimethylsilane is sourced from PubChem (CID 172550767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).