tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane

C17H21F3OSi — CID 51350949

IUPACtert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C17H21F3OSi/c1-16(2,3)22(4,5)21-15-9-7-12-10-14(17(18,19)20)8-6-13(12)11-15/h6-11H,1-5H3
InChIKeySODSCFAIBGCQJJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP6.24
Rot. Bonds2

About tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane

tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane (PubChem CID 51350949) has the molecular formula C17H21F3OSi and a molecular weight of 326.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane
PubChem CID51350949
Molecular FormulaC17H21F3OSi
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Nametert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C17H21F3OSi/c1-16(2,3)22(4,5)21-15-9-7-12-10-14(17(18,19)20)8-6-13(12)11-15/h6-11H,1-5H3
InChIKeySODSCFAIBGCQJJ-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane (CID 51350949) is tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane is CC(C)(C)[Si](C)(C)Oc1ccc2cc(C(F)(F)F)ccc2c1.
What is the InChIKey of tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane?
The InChIKey is SODSCFAIBGCQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3OSi/c1-16(2,3)22(4,5)21-15-9-7-12-10-14(17(18,19)20)8-6-13(12)11-15/h6-11H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane?
tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane has a molecular weight of 326.43 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane is sourced from PubChem (CID 51350949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).