6-[2(Trimethylsilyl)-1-ethynyl]-1,3-benzodioxole-5-vinylmethanol - CAS 1346602-58-1
Catalog: |
BB057109 |
Product Name: |
6-[2(Trimethylsilyl)-1-ethynyl]-1,3-benzodioxole-5-vinylmethanol |
CAS: |
1346602-58-1 |
Synonyms: |
6-[2(Trimethylsilyl)-1-ethynyl]-1,3-benzodioxole-5-(2-propen-1-ol) |
IUPAC Name: | 1-[6-(1-hydroxyprop-2-enyl)-1,3-benzodioxol-5-yl]-2-trimethylsilylethanone |
Description: | A TMS-alkyne substituted benzodioxole derivative. |
Molecular Weight: | 274.39 |
Molecular Formula: | C15H18O3Si |
Canonical SMILES: | C[Si](C)(C)CC(=O)C1=CC2=C(C=C1C(C=C)O)OCO2 |
InChI: | InChI=1S/C15H20O4Si/c1-5-12(16)10-6-14-15(19-9-18-14)7-11(10)13(17)8-20(2,3)4/h5-7,12,16H,1,8-9H2,2-4H3 |
InChI Key: | HIULQUIOSCRZGW-UHFFFAOYSA-N |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.11308565 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.11308565 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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