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Home > Other Heterocycles > 134134-04-6
134134-04-6 | 2,6,7-Trioxabicyclo[2.2.2]octane,1-[4-[2-[dimethyl(phenylmethyl)silyl]ethynyl]phenyl]-4-propyl-
CAS No: 134134-04-6 Catalog No: AG0070XN MDL No:
Product Description
Catalog Number:
AG0070XN
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,1-[4-[2-[dimethyl(phenylmethyl)silyl]ethynyl]phenyl]-4-propyl-
CAS Number:
134134-04-6
Molecular Formula:
C25H30O3Si
Molecular Weight:
406.5894
IUPAC Name:
benzyl-dimethyl-[2-[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
InChI:
InChI=1S/C25H30O3Si/c1-4-15-24-18-26-25(27-19-24,28-20-24)23-12-10-21(11-13-23)14-16-29(2,3)17-22-8-6-5-7-9-22/h5-13H,4,15,17-20H2,1-3H3
InChI Key:
KGFHSKZLHFBRKL-UHFFFAOYSA-N
SMILES:
CCCC12COC(OC1)(OC2)c1ccc(cc1)C#C[Si](Cc1ccccc1)(C)C
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.196g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.597g/mol
Monoisotopic Mass:
406.196g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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