diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane

C11H19F7O3Si — CID 154132639

IUPACdiethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane
SMILESCCO[Si](C)(CCCOC(F)(C(F)(F)F)C(F)(F)F)OCC
InChIInChI=1S/C11H19F7O3Si/c1-4-20-22(3,21-5-2)8-6-7-19-9(12,10(13,14)15)11(16,17)18/h4-8H2,1-3H3
InChIKeyYDWYTADQCJGRKW-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.33
Rot. Bonds9

About diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane

diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane (PubChem CID 154132639) has the molecular formula C11H19F7O3Si and a molecular weight of 360.34 g/mol. Its IUPAC name is diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane
PubChem CID154132639
Molecular FormulaC11H19F7O3Si
Molecular Weight360.34 g/mol
Exact Mass360.10
IUPAC Namediethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane
SMILESCCO[Si](C)(CCCOC(F)(C(F)(F)F)C(F)(F)F)OCC
InChIInChI=1S/C11H19F7O3Si/c1-4-20-22(3,21-5-2)8-6-7-19-9(12,10(13,14)15)11(16,17)18/h4-8H2,1-3H3
InChIKeyYDWYTADQCJGRKW-UHFFFAOYSA-N
XLogP4.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane?
The IUPAC name of diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane (CID 154132639) is diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane.
What is the SMILES notation for diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane?
The canonical SMILES for diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane is CCO[Si](C)(CCCOC(F)(C(F)(F)F)C(F)(F)F)OCC.
What is the InChIKey of diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane?
The InChIKey is YDWYTADQCJGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F7O3Si/c1-4-20-22(3,21-5-2)8-6-7-19-9(12,10(13,14)15)11(16,17)18/h4-8H2,1-3H3.
What are the key properties of diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane?
diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane has a molecular weight of 360.34 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]-methylsilane is sourced from PubChem (CID 154132639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).