triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane

C16H16F20O3Si — CID 22721486

IUPACtriethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H16F20O3Si/c1-4-37-40(38-5-2,39-6-3)9(20,21)7(17)8(18,19)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h7H,4-6H2,1-3H3
InChIKeyZTOVUXJFOFUFBE-UHFFFAOYSA-N
MW664.35 g/mol
LogP7.56
Rot. Bonds15

About triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane

triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane (PubChem CID 22721486) has the molecular formula C16H16F20O3Si and a molecular weight of 664.35 g/mol. Its IUPAC name is triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane
PubChem CID22721486
Molecular FormulaC16H16F20O3Si
Molecular Weight664.35 g/mol
Exact Mass664.05
IUPAC Nametriethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H16F20O3Si/c1-4-37-40(38-5-2,39-6-3)9(20,21)7(17)8(18,19)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h7H,4-6H2,1-3H3
InChIKeyZTOVUXJFOFUFBE-UHFFFAOYSA-N
XLogP7.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.35
LogP ≤ 57.56
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(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 159378661
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451
chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523530
10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 57224801
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
CID 54143358
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecane-1-thiol
CID 18387026
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
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
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014

Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane?
The IUPAC name of triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane (CID 22721486) is triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane.
What is the SMILES notation for triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane?
The canonical SMILES for triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane?
The InChIKey is ZTOVUXJFOFUFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F20O3Si/c1-4-37-40(38-5-2,39-6-3)9(20,21)7(17)8(18,19)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h7H,4-6H2,1-3H3.
What are the key properties of triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane?
triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane has a molecular weight of 664.35 g/mol, XLogP of 7.56, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecyl)silane is sourced from PubChem (CID 22721486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).