tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane

C24H31F3O6SSi — CID 10864402

IUPACtert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCOC/C=C/S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H31F3O6SSi/c1-23(2,3)35(4,5)31-17-16-30-15-6-18-34(28,29)22-13-11-20(12-14-22)32-19-7-9-21(10-8-19)33-24(25,26)27/h6-14,18H,15-17H2,1-5H3/b18-6+
InChIKeyLYRDQCGUOCGNOG-NGYBGAFCSA-N
MW532.65 g/mol
LogP6.70
Rot. Bonds11

About tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane

tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane (PubChem CID 10864402) has the molecular formula C24H31F3O6SSi and a molecular weight of 532.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane
PubChem CID10864402
Molecular FormulaC24H31F3O6SSi
Molecular Weight532.65 g/mol
Exact Mass532.16
IUPAC Nametert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCOC/C=C/S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H31F3O6SSi/c1-23(2,3)35(4,5)31-17-16-30-15-6-18-34(28,29)22-13-11-20(12-14-22)32-19-7-9-21(10-8-19)33-24(25,26)27/h6-14,18H,15-17H2,1-5H3/b18-6+
InChIKeyLYRDQCGUOCGNOG-NGYBGAFCSA-N
XLogP6.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(4S)-4-[2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethenyl]-1,3-dioxolane
CID 70139503
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 58596731
tert-butyl-[2-[2-(4-fluoro-3-nitrophenoxy)ethoxy]ethoxy]-dimethylsilane
CID 178155414
tert-butyl-[2-[2-[2-[2-(4-ethynylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane
CID 58324093
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
1-[1-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethoxy)benzene
CID 47502526
N-[1-(dimethylamino)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpropan-2-yl]hydroxylamine
CID 11133842
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
4-[2-[4-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethynyl]aniline
CID 16659289

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane (CID 10864402) is tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane is CC(C)(C)[Si](C)(C)OCCOC/C=C/S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane?
The InChIKey is LYRDQCGUOCGNOG-NGYBGAFCSA-N. The full InChI is InChI=1S/C24H31F3O6SSi/c1-23(2,3)35(4,5)31-17-16-30-15-6-18-34(28,29)22-13-11-20(12-14-22)32-19-7-9-21(10-8-19)33-24(25,26)27/h6-14,18H,15-17H2,1-5H3/b18-6+.
What are the key properties of tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane?
tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane has a molecular weight of 532.65 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(E)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylprop-2-enoxy]ethoxy]silane is sourced from PubChem (CID 10864402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).