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Silane, ((4-(4-(3-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-

HCID 3076500
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Basic information

CAS
131505-60-7
Standard SMILES
C[Si](C)(C)C#Cc1ccc(C23OCC(c4cccc(F)c4)(CO2)CO3)cc1
InChIKey
TUATZPZAPXWQNJ-UHFFFAOYSA-N
Molecular formula
C22H23FO3Si
Average molar mass
382.5 g/mol
Monoisotopic mass
382.14004929

Names & identifiers

Preferred name
Silane, ((4-(4-(3-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-
IUPAC
2-[4-[4-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl]ethynyl-trimethylsilane

Names & synonyms

Silane, ((4-(4-(3-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-((4-(4-(3-Fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethylsilane131505-60-7DTXSID00157088RefChem:380211DTXCID3079579SCHEMBL9451535({4-[4-(3-Fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl}ethynyl)tri(methyl)silane

Database identifiers

CAS
131505-60-7
PubChem CID
3076500
DTXSID
DTXSID00157088

Properties

Computed structural properties

Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
583

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