triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane

C12H21F7O3Si — CID 22600767

IUPACtriethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane
SMILESCCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H21F7O3Si/c1-4-20-23(21-5-2,22-6-3)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyYUNPGHMVZKZETP-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.65
Rot. Bonds11

About triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane

triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane (PubChem CID 22600767) has the molecular formula C12H21F7O3Si and a molecular weight of 374.37 g/mol. Its IUPAC name is triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane.

Molecular Properties

Compound Nametriethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane
PubChem CID22600767
Molecular FormulaC12H21F7O3Si
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Nametriethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane
SMILESCCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H21F7O3Si/c1-4-20-23(21-5-2,22-6-3)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyYUNPGHMVZKZETP-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.65
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

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriethoxysilan
CID 103991
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CID 145374
Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)-
CID 2782916
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 2782917
((Perfluorobutyl)ethyl)trimethoxysilane
CID 15651659
Triethoxy(3,3,3-trifluoropropyl)silane
CID 13222391
Perfluorooctyltriethoxysilane
CID 11657151
Diethoxy(2-(perfluorooctyl)-1-ethyl)methylsilane
CID 15806690
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriisopropoxysilane
CID 23160471
1H,1H,2H,2H-Perfluorodecyl(tri-iso-propoxy)silane
CID 23160473
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(tripropoxy)silane
CID 23160487
(3,3,4,4,5,5,5-Heptafluoropentyl)(trimethoxy)silane
CID 52991970

Frequently Asked Questions

What is the IUPAC name of triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The IUPAC name of triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane (CID 22600767) is triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane.
What is the SMILES notation for triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The canonical SMILES for triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane is CCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane?
The InChIKey is YUNPGHMVZKZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7O3Si/c1-4-20-23(21-5-2,22-6-3)9-7-8-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3.
What are the key properties of triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane?
triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane has a molecular weight of 374.37 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(4,4,5,5,6,6,6-heptafluorohexyl)silane is sourced from PubChem (CID 22600767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).