tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane

C19H31F3OSi — CID 11245353

IUPACtert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H31F3OSi/c1-18(2,3)24(4,5)23-15-9-7-6-8-10-16-11-13-17(14-12-16)19(20,21)22/h11-14H,6-10,15H2,1-5H3
InChIKeySMTSSSJNOFZXIC-UHFFFAOYSA-N
MW360.54 g/mol
LogP6.83
Rot. Bonds8

About tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane

tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane (PubChem CID 11245353) has the molecular formula C19H31F3OSi and a molecular weight of 360.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
PubChem CID11245353
Molecular FormulaC19H31F3OSi
Molecular Weight360.54 g/mol
Exact Mass360.21
IUPAC Nametert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H31F3OSi/c1-18(2,3)24(4,5)23-15-9-7-6-8-10-16-11-13-17(14-12-16)19(20,21)22/h11-14H,6-10,15H2,1-5H3
InChIKeySMTSSSJNOFZXIC-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.83
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 tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane (CID 11245353) is tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane is CC(C)(C)[Si](C)(C)OCCCCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane?
The InChIKey is SMTSSSJNOFZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3OSi/c1-18(2,3)24(4,5)23-15-9-7-6-8-10-16-11-13-17(14-12-16)19(20,21)22/h11-14H,6-10,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane?
tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane has a molecular weight of 360.54 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane is sourced from PubChem (CID 11245353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).