tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane

C23H31F3OSi — CID 150223744

IUPACtert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane
SMILESCCC(O[Si](C)(C)C(C)(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C23H31F3OSi/c1-8-21(27-28(6,7)22(3,4)5)20-15-18(10-9-16(20)2)17-11-13-19(14-12-17)23(24,25)26/h9-15,21H,8H2,1-7H3
InChIKeyFUALTBSRKIRBLE-UHFFFAOYSA-N
MW408.58 g/mol
LogP8.15
Rot. Bonds5

About tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane

tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane (PubChem CID 150223744) has the molecular formula C23H31F3OSi and a molecular weight of 408.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane
PubChem CID150223744
Molecular FormulaC23H31F3OSi
Molecular Weight408.58 g/mol
Exact Mass408.21
IUPAC Nametert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane
SMILESCCC(O[Si](C)(C)C(C)(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C23H31F3OSi/c1-8-21(27-28(6,7)22(3,4)5)20-15-18(10-9-16(20)2)17-11-13-19(14-12-17)23(24,25)26/h9-15,21H,8H2,1-7H3
InChIKeyFUALTBSRKIRBLE-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bay 27-9955
CID 5311277
(2,3,4,5,6-Pentamethylphenyl)-phenylmethanol
CID 2803280
1,6-Hexanediol, 1-(2',4'-difluoro-2-methyl(1,1'-biphenyl)-4-yl)-
CID 49866235
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
(1R)-1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
CID 153030842
tert-Butyldimethyl((4-(trifluoromethyl)benzyl)oxy)silane
CID 11277728
Dimethyl-prop-2-enyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 11666259
Trimethyl-(2,2,2-trifluoro-1-naphthalen-2-ylethoxy)silane
CID 15488123
Triethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 56970310
(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
[2,2-Difluoro-1-(4-methylphenyl)ethenoxy]-triethylsilane
CID 176437471

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane (CID 150223744) is tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane is CCC(O[Si](C)(C)C(C)(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1C.
What is the InChIKey of tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane?
The InChIKey is FUALTBSRKIRBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3OSi/c1-8-21(27-28(6,7)22(3,4)5)20-15-18(10-9-16(20)2)17-11-13-19(14-12-17)23(24,25)26/h9-15,21H,8H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane?
tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane has a molecular weight of 408.58 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane is sourced from PubChem (CID 150223744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).