6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane

C18H26F6OSi — CID 90174980

IUPAC6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H26F6OSi/c1-4-25-26(2,3)10-8-6-5-7-9-14-11-15(17(19,20)21)13-16(12-14)18(22,23)24/h11-13H,4-10H2,1-3H3
InChIKeyOIKOVSDRSFAMFL-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.07
Rot. Bonds9

About 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane

6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane (PubChem CID 90174980) has the molecular formula C18H26F6OSi and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
PubChem CID90174980
Molecular FormulaC18H26F6OSi
Molecular Weight400.48 g/mol
Exact Mass400.17
IUPAC Name6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H26F6OSi/c1-4-25-26(2,3)10-8-6-5-7-9-14-11-15(17(19,20)21)13-16(12-14)18(22,23)24/h11-13H,4-10H2,1-3H3
InChIKeyOIKOVSDRSFAMFL-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.07
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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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane (CID 90174980) is 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane is CCO[Si](C)(C)CCCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane?
The InChIKey is OIKOVSDRSFAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6OSi/c1-4-25-26(2,3)10-8-6-5-7-9-14-11-15(17(19,20)21)13-16(12-14)18(22,23)24/h11-13H,4-10H2,1-3H3.
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane?
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane has a molecular weight of 400.48 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane is sourced from PubChem (CID 90174980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).