(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane

C22H38F12O6Si2 — CID 59661322

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H38F12O6Si2/c1-7-35-41(36-8-2,37-9-3)15-13-17(23,24)19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)14-16-42(38-10-4,39-11-5)40-12-6/h7-16H2,1-6H3
InChIKeyRAKWPDFAVDYUOM-UHFFFAOYSA-N
MW682.69 g/mol
LogP7.68
Rot. Bonds23

About (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane

(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane (PubChem CID 59661322) has the molecular formula C22H38F12O6Si2 and a molecular weight of 682.69 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane
PubChem CID59661322
Molecular FormulaC22H38F12O6Si2
Molecular Weight682.69 g/mol
Exact Mass682.20
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane
SMILESCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H38F12O6Si2/c1-7-35-41(36-8-2,37-9-3)15-13-17(23,24)19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)14-16-42(38-10-4,39-11-5)40-12-6/h7-16H2,1-6H3
InChIKeyRAKWPDFAVDYUOM-UHFFFAOYSA-N
XLogP7.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.69
LogP ≤ 57.68
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 (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane (CID 59661322) is (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane is CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane?
The InChIKey is RAKWPDFAVDYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F12O6Si2/c1-7-35-41(36-8-2,37-9-3)15-13-17(23,24)19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)14-16-42(38-10-4,39-11-5)40-12-6/h7-16H2,1-6H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane?
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane has a molecular weight of 682.69 g/mol, XLogP of 7.68, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-triethoxysilyldecyl)-triethoxysilane is sourced from PubChem (CID 59661322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).