diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane

C16H21F15O3Si — CID 155607261

IUPACdiethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
SMILESCCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C16H21F15O3Si/c1-4-8-34-35(32-5-2,33-6-3)9-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h4-9H2,1-3H3
InChIKeyIDLZRMCWYYVSPD-UHFFFAOYSA-N
MW574.40 g/mol
LogP7.19
Rot. Bonds15

About diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane

diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane (PubChem CID 155607261) has the molecular formula C16H21F15O3Si and a molecular weight of 574.40 g/mol. Its IUPAC name is diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane.

Molecular Properties

Compound Namediethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
PubChem CID155607261
Molecular FormulaC16H21F15O3Si
Molecular Weight574.40 g/mol
Exact Mass574.10
IUPAC Namediethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
SMILESCCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C16H21F15O3Si/c1-4-8-34-35(32-5-2,33-6-3)9-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h4-9H2,1-3H3
InChIKeyIDLZRMCWYYVSPD-UHFFFAOYSA-N
XLogP7.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.40
LogP ≤ 57.19
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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Related Compounds

triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 171316019
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 159728593
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 158341824
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
CID 138375957
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
CID 138375960
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
CID 18466366
triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane
CID 18008749
chloro-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane;dichloro-methyl-(3,3,3-trifluoropropyl)silane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(trimethoxy)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane;trichloro(3,3,3-trifluoropropyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane;trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane;trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 164956203
triethoxy-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propyl]silane
CID 71410842
ethoxy-(3,3,4,4,5,5,5-heptafluoropentyl)-dimethylsilane
CID 59112366
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305

Frequently Asked Questions

What is the IUPAC name of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane?
The IUPAC name of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane (CID 155607261) is diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane.
What is the SMILES notation for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane?
The canonical SMILES for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane is CCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane?
The InChIKey is IDLZRMCWYYVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F15O3Si/c1-4-8-34-35(32-5-2,33-6-3)9-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h4-9H2,1-3H3.
What are the key properties of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane?
diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane has a molecular weight of 574.40 g/mol, XLogP of 7.19, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane is sourced from PubChem (CID 155607261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).