diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane

C17H27F3OSi — CID 90172777

IUPACdiethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
SMILESCC[Si](CC)(CCCCCc1cccc(C(F)(F)F)c1)OC
InChIInChI=1S/C17H27F3OSi/c1-4-22(5-2,21-3)13-8-6-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14H,4-8,10,13H2,1-3H3
InChIKeyMGXRHCREKBYKPW-UHFFFAOYSA-N
MW332.48 g/mol
LogP6.05
Rot. Bonds9

About diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane

diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane (PubChem CID 90172777) has the molecular formula C17H27F3OSi and a molecular weight of 332.48 g/mol. Its IUPAC name is diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane.

Molecular Properties

Compound Namediethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
PubChem CID90172777
Molecular FormulaC17H27F3OSi
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Namediethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
SMILESCC[Si](CC)(CCCCCc1cccc(C(F)(F)F)c1)OC
InChIInChI=1S/C17H27F3OSi/c1-4-22(5-2,21-3)13-8-6-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14H,4-8,10,13H2,1-3H3
InChIKeyMGXRHCREKBYKPW-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
CID 90172147
CID 90171829
CID 90171829
CID 90171032
CID 90171032
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618

Frequently Asked Questions

What is the IUPAC name of diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane?
The IUPAC name of diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane (CID 90172777) is diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane.
What is the SMILES notation for diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane?
The canonical SMILES for diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane is CC[Si](CC)(CCCCCc1cccc(C(F)(F)F)c1)OC.
What is the InChIKey of diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane?
The InChIKey is MGXRHCREKBYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3OSi/c1-4-22(5-2,21-3)13-8-6-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14H,4-8,10,13H2,1-3H3.
What are the key properties of diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane?
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane has a molecular weight of 332.48 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane is sourced from PubChem (CID 90172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).