ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane

C8H15F5OSi — CID 59112324

IUPACethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
SMILESCCO[Si](C)(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H15F5OSi/c1-4-14-15(2,3)6-5-7(9,10)8(11,12)13/h4-6H2,1-3H3
InChIKeyDYKDXGXWBLLCOD-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.82
Rot. Bonds5

About ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane

ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane (PubChem CID 59112324) has the molecular formula C8H15F5OSi and a molecular weight of 250.28 g/mol. Its IUPAC name is ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane.

Molecular Properties

Compound Nameethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
PubChem CID59112324
Molecular FormulaC8H15F5OSi
Molecular Weight250.28 g/mol
Exact Mass250.08
IUPAC Nameethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
SMILESCCO[Si](C)(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H15F5OSi/c1-4-14-15(2,3)6-5-7(9,10)8(11,12)13/h4-6H2,1-3H3
InChIKeyDYKDXGXWBLLCOD-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The IUPAC name of ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane (CID 59112324) is ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane.
What is the SMILES notation for ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The canonical SMILES for ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane is CCO[Si](C)(C)CCC(F)(F)C(F)(F)F.
What is the InChIKey of ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The InChIKey is DYKDXGXWBLLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F5OSi/c1-4-14-15(2,3)6-5-7(9,10)8(11,12)13/h4-6H2,1-3H3.
What are the key properties of ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane has a molecular weight of 250.28 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane is sourced from PubChem (CID 59112324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).