6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol

C17H35F5O7Si2 — CID 160659448

IUPAC6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol
SMILESCO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)CC(F)(F)CC(F)(F)F)(OC)OC
InChIInChI=1S/C17H35F5O7Si2/c1-24-30(25-2,26-3)11-7-9-15(23,13-16(18,19)14-17(20,21)22)10-8-12-31(27-4,28-5)29-6/h23H,7-14H2,1-6H3
InChIKeyVGOFGUDDGIILDR-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.01
Rot. Bonds17

About 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol

6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol (PubChem CID 160659448) has the molecular formula C17H35F5O7Si2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol.

Molecular Properties

Compound Name6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol
PubChem CID160659448
Molecular FormulaC17H35F5O7Si2
Molecular Weight502.62 g/mol
Exact Mass502.18
IUPAC Name6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol
SMILESCO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)CC(F)(F)CC(F)(F)F)(OC)OC
InChIInChI=1S/C17H35F5O7Si2/c1-24-30(25-2,26-3)11-7-9-15(23,13-16(18,19)14-17(20,21)22)10-8-12-31(27-4,28-5)29-6/h23H,7-14H2,1-6H3
InChIKeyVGOFGUDDGIILDR-UHFFFAOYSA-N
XLogP4.01
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol with MolForge

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Related Compounds

4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol
CID 174085834
4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 158894670
diethoxy-methoxy-(5,5,5-trifluoropentyl)silane
CID 174718643
5-[[[1,1-difluoro-2-[2-hydroxy-5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentoxy]ethoxy]-difluoromethoxy]-difluoromethyl]nonan-5-ol
CID 160629572
1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 140691900
[2-fluoro-1,5-bis(trimethoxysilyl)pentan-2-yl]oxymethyl-trimethoxysilane
CID 162451503
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
CID 141120987
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
(3-butyl-3-fluoroheptyl)-trimethoxysilane
CID 58825593
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047

Frequently Asked Questions

What is the IUPAC name of 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol?
The IUPAC name of 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol (CID 160659448) is 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol.
What is the SMILES notation for 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol?
The canonical SMILES for 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol is CO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)CC(F)(F)CC(F)(F)F)(OC)OC.
What is the InChIKey of 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol?
The InChIKey is VGOFGUDDGIILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F5O7Si2/c1-24-30(25-2,26-3)11-7-9-15(23,13-16(18,19)14-17(20,21)22)10-8-12-31(27-4,28-5)29-6/h23H,7-14H2,1-6H3.
What are the key properties of 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol?
6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol has a molecular weight of 502.62 g/mol, XLogP of 4.01, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol is sourced from PubChem (CID 160659448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).