dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane

C13H26F6O2Si2 — CID 21365447

IUPACdimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane
SMILESCCC[Si](C)(C)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H26F6O2Si2/c1-7-10-23(5,6)20-9-8-11(12(14,15)16,13(17,18)19)21-22(2,3)4/h7-10H2,1-6H3
InChIKeyAUBXORXNFOXJHM-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.72
Rot. Bonds8

About dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane

dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane (PubChem CID 21365447) has the molecular formula C13H26F6O2Si2 and a molecular weight of 384.51 g/mol. Its IUPAC name is dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane.

Molecular Properties

Compound Namedimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane
PubChem CID21365447
Molecular FormulaC13H26F6O2Si2
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Namedimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane
SMILESCCC[Si](C)(C)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H26F6O2Si2/c1-7-10-23(5,6)20-9-8-11(12(14,15)16,13(17,18)19)21-22(2,3)4/h7-10H2,1-6H3
InChIKeyAUBXORXNFOXJHM-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane?
The IUPAC name of dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane (CID 21365447) is dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane.
What is the SMILES notation for dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane?
The canonical SMILES for dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane is CCC[Si](C)(C)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane?
The InChIKey is AUBXORXNFOXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F6O2Si2/c1-7-10-23(5,6)20-9-8-11(12(14,15)16,13(17,18)19)21-22(2,3)4/h7-10H2,1-6H3.
What are the key properties of dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane?
dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane has a molecular weight of 384.51 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silane is sourced from PubChem (CID 21365447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).