trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane

C22H35F13O4Si — CID 140722381

IUPACtrimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane
SMILESCO[Si](CCCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C22H35F13O4Si/c1-36-40(37-2,38-3)16-12-10-8-6-4-5-7-9-11-14-39-15-13-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h4-16H2,1-3H3
InChIKeyWNRBGIOMDXAZTR-UHFFFAOYSA-N
MW638.58 g/mol
LogP8.52
Rot. Bonds22

About trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane

trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane (PubChem CID 140722381) has the molecular formula C22H35F13O4Si and a molecular weight of 638.58 g/mol. Its IUPAC name is trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane
PubChem CID140722381
Molecular FormulaC22H35F13O4Si
Molecular Weight638.58 g/mol
Exact Mass638.21
IUPAC Nametrimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane
SMILESCO[Si](CCCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C22H35F13O4Si/c1-36-40(37-2,38-3)16-12-10-8-6-4-5-7-9-11-14-39-15-13-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h4-16H2,1-3H3
InChIKeyWNRBGIOMDXAZTR-UHFFFAOYSA-N
XLogP8.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.58
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane?
The IUPAC name of trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane (CID 140722381) is trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane.
What is the SMILES notation for trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane?
The canonical SMILES for trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane is CO[Si](CCCCCCCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane?
The InChIKey is WNRBGIOMDXAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F13O4Si/c1-36-40(37-2,38-3)16-12-10-8-6-4-5-7-9-11-14-39-15-13-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h4-16H2,1-3H3.
What are the key properties of trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane?
trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane has a molecular weight of 638.58 g/mol, XLogP of 8.52, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[11-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)undecyl]silane is sourced from PubChem (CID 140722381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).