tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate

C16H8F28O4Si — CID 22112541

IUPACtetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate
SMILESFC(F)C(F)C(F)(F)C(F)(F)O[Si](OC(F)(F)C(F)(F)C(F)C(F)F)(OC(F)(F)C(F)(F)C(F)C(F)F)OC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C16H8F28O4Si/c17-1(5(21)22)9(29,30)13(37,38)45-49(46-14(39,40)10(31,32)2(18)6(23)24,47-15(41,42)11(33,34)3(19)7(25)26)48-16(43,44)12(35,36)4(20)8(27)28/h1-8H
InChIKeyXXSHAIJXCJZKNH-UHFFFAOYSA-N
MW824.27 g/mol
LogP8.81
Rot. Bonds20

About tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate

tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate (PubChem CID 22112541) has the molecular formula C16H8F28O4Si and a molecular weight of 824.27 g/mol. Its IUPAC name is tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate.

Molecular Properties

Compound Nametetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate
PubChem CID22112541
Molecular FormulaC16H8F28O4Si
Molecular Weight824.27 g/mol
Exact Mass823.97
IUPAC Nametetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate
SMILESFC(F)C(F)C(F)(F)C(F)(F)O[Si](OC(F)(F)C(F)(F)C(F)C(F)F)(OC(F)(F)C(F)(F)C(F)C(F)F)OC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C16H8F28O4Si/c17-1(5(21)22)9(29,30)13(37,38)45-49(46-14(39,40)10(31,32)2(18)6(23)24,47-15(41,42)11(33,34)3(19)7(25)26)48-16(43,44)12(35,36)4(20)8(27)28/h1-8H
InChIKeyXXSHAIJXCJZKNH-UHFFFAOYSA-N
XLogP8.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.27
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate?
The IUPAC name of tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate (CID 22112541) is tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate.
What is the SMILES notation for tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate?
The canonical SMILES for tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate is FC(F)C(F)C(F)(F)C(F)(F)O[Si](OC(F)(F)C(F)(F)C(F)C(F)F)(OC(F)(F)C(F)(F)C(F)C(F)F)OC(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate?
The InChIKey is XXSHAIJXCJZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F28O4Si/c17-1(5(21)22)9(29,30)13(37,38)45-49(46-14(39,40)10(31,32)2(18)6(23)24,47-15(41,42)11(33,34)3(19)7(25)26)48-16(43,44)12(35,36)4(20)8(27)28/h1-8H.
What are the key properties of tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate?
tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate has a molecular weight of 824.27 g/mol, XLogP of 8.81, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,2,2,3,4,4-heptafluorobutyl) silicate is sourced from PubChem (CID 22112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).