triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane

C26H42F16O6Si2 — CID 154926672

IUPACtriethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane
SMILESCCO[Si](CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H42F16O6Si2/c1-7-43-49(44-8-2,45-9-3)18-16-14-13-15-17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)50(46-10-4,47-11-5)48-12-6/h7-18H2,1-6H3
InChIKeyDEUQGYXPHDHPSB-UHFFFAOYSA-N
MW810.76 g/mol
LogP9.66
Rot. Bonds27

About triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane

triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane (PubChem CID 154926672) has the molecular formula C26H42F16O6Si2 and a molecular weight of 810.76 g/mol. Its IUPAC name is triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane.

Molecular Properties

Compound Nametriethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane
PubChem CID154926672
Molecular FormulaC26H42F16O6Si2
Molecular Weight810.76 g/mol
Exact Mass810.23
IUPAC Nametriethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane
SMILESCCO[Si](CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H42F16O6Si2/c1-7-43-49(44-8-2,45-9-3)18-16-14-13-15-17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)50(46-10-4,47-11-5)48-12-6/h7-18H2,1-6H3
InChIKeyDEUQGYXPHDHPSB-UHFFFAOYSA-N
XLogP9.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.76
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?
The IUPAC name of triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane (CID 154926672) is triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane.
What is the SMILES notation for triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?
The canonical SMILES for triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane is CCO[Si](CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?
The InChIKey is DEUQGYXPHDHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F16O6Si2/c1-7-43-49(44-8-2,45-9-3)18-16-14-13-15-17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)50(46-10-4,47-11-5)48-12-6/h7-18H2,1-6H3.
What are the key properties of triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane?
triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane has a molecular weight of 810.76 g/mol, XLogP of 9.66, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-14-triethoxysilyltetradecyl)silane is sourced from PubChem (CID 154926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).