tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane

C22H37F3O3Si — CID 90174032

IUPACtripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
SMILESCCCO[Si](CCCCCCc1cccc(C(F)(F)F)c1)(OCCC)OCCC
InChIInChI=1S/C22H37F3O3Si/c1-4-15-26-29(27-16-5-2,28-17-6-3)18-10-8-7-9-12-20-13-11-14-21(19-20)22(23,24)25/h11,13-14,19H,4-10,12,15-18H2,1-3H3
InChIKeyYFWYSTUQNLJILM-UHFFFAOYSA-N
MW434.62 g/mol
LogP7.03
Rot. Bonds16

About tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane

tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane (PubChem CID 90174032) has the molecular formula C22H37F3O3Si and a molecular weight of 434.62 g/mol. Its IUPAC name is tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane.

Molecular Properties

Compound Nametripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
PubChem CID90174032
Molecular FormulaC22H37F3O3Si
Molecular Weight434.62 g/mol
Exact Mass434.25
IUPAC Nametripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
SMILESCCCO[Si](CCCCCCc1cccc(C(F)(F)F)c1)(OCCC)OCCC
InChIInChI=1S/C22H37F3O3Si/c1-4-15-26-29(27-16-5-2,28-17-6-3)18-10-8-7-9-12-20-13-11-14-21(19-20)22(23,24)25/h11,13-14,19H,4-10,12,15-18H2,1-3H3
InChIKeyYFWYSTUQNLJILM-UHFFFAOYSA-N
XLogP7.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
CID 90171309
CID 90171309
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
CID 90171216
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
CID 90171829
CID 90171829
CID 90171032
CID 90171032
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
CID 141200659
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066

Frequently Asked Questions

What is the IUPAC name of tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The IUPAC name of tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane (CID 90174032) is tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane.
What is the SMILES notation for tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The canonical SMILES for tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane is CCCO[Si](CCCCCCc1cccc(C(F)(F)F)c1)(OCCC)OCCC.
What is the InChIKey of tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The InChIKey is YFWYSTUQNLJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37F3O3Si/c1-4-15-26-29(27-16-5-2,28-17-6-3)18-10-8-7-9-12-20-13-11-14-21(19-20)22(23,24)25/h11,13-14,19H,4-10,12,15-18H2,1-3H3.
What are the key properties of tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane has a molecular weight of 434.62 g/mol, XLogP of 7.03, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane is sourced from PubChem (CID 90174032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).