diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane

C18H24F8O3Si — CID 87256320

IUPACdiethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](OCC)(c1ccccc1)C(CC)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C18H24F8O3Si/c1-5-14(29-18(25,26)17(23,24)16(21,22)15(4,19)20)30(27-6-2,28-7-3)13-11-9-8-10-12-13/h8-12,14H,5-7H2,1-4H3
InChIKeyGAZMBACLPSQINM-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.26
Rot. Bonds12

About diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane

diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane (PubChem CID 87256320) has the molecular formula C18H24F8O3Si and a molecular weight of 468.46 g/mol. Its IUPAC name is diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namediethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
PubChem CID87256320
Molecular FormulaC18H24F8O3Si
Molecular Weight468.46 g/mol
Exact Mass468.14
IUPAC Namediethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
SMILESCCO[Si](OCC)(c1ccccc1)C(CC)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C18H24F8O3Si/c1-5-14(29-18(25,26)17(23,24)16(21,22)15(4,19)20)30(27-6-2,28-7-3)13-11-9-8-10-12-13/h8-12,14H,5-7H2,1-4H3
InChIKeyGAZMBACLPSQINM-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The IUPAC name of diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane (CID 87256320) is diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane.
What is the SMILES notation for diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The canonical SMILES for diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane is CCO[Si](OCC)(c1ccccc1)C(CC)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
The InChIKey is GAZMBACLPSQINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F8O3Si/c1-5-14(29-18(25,26)17(23,24)16(21,22)15(4,19)20)30(27-6-2,28-7-3)13-11-9-8-10-12-13/h8-12,14H,5-7H2,1-4H3.
What are the key properties of diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane?
diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane has a molecular weight of 468.46 g/mol, XLogP of 5.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane is sourced from PubChem (CID 87256320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).