(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane

C24H42F12O6Si2 — CID 121235932

IUPAC(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane
SMILESCCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H42F12O6Si2/c1-7-37-43(38-8-2,39-9-3)17-13-15-19(25,26)21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)16-14-18-44(40-10-4,41-11-5)42-12-6/h7-18H2,1-6H3
InChIKeyYNANGIAQHBAVEA-UHFFFAOYSA-N
MW710.74 g/mol
LogP8.46
Rot. Bonds25

About (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane

(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane (PubChem CID 121235932) has the molecular formula C24H42F12O6Si2 and a molecular weight of 710.74 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane
PubChem CID121235932
Molecular FormulaC24H42F12O6Si2
Molecular Weight710.74 g/mol
Exact Mass710.23
IUPAC Name(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane
SMILESCCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H42F12O6Si2/c1-7-37-43(38-8-2,39-9-3)17-13-15-19(25,26)21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)16-14-18-44(40-10-4,41-11-5)42-12-6/h7-18H2,1-6H3
InChIKeyYNANGIAQHBAVEA-UHFFFAOYSA-N
XLogP8.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.74
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane?
The IUPAC name of (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane (CID 121235932) is (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane.
What is the SMILES notation for (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane?
The canonical SMILES for (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane is CCO[Si](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane?
The InChIKey is YNANGIAQHBAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F12O6Si2/c1-7-37-43(38-8-2,39-9-3)17-13-15-19(25,26)21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)16-14-18-44(40-10-4,41-11-5)42-12-6/h7-18H2,1-6H3.
What are the key properties of (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane?
(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane has a molecular weight of 710.74 g/mol, XLogP of 8.46, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-triethoxysilyldodecyl)-triethoxysilane is sourced from PubChem (CID 121235932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).