1-Iodo-4-methyl-4-[(trimethylsilyl)oxy]-1E-octene - CAS 62555-05-9
Catalog: |
BB063665 |
Product Name: |
1-Iodo-4-methyl-4-[(trimethylsilyl)oxy]-1E-octene |
CAS: |
62555-05-9 |
Synonyms: |
(E)-[[1-(3-Iodo-2-propenyl)-1-methylpentyl]oxy]trimethylsilane |
IUPAC Name: | [(E)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane |
Description: | 1-Iodo-4-methyl-4-[(trimethylsilyl)oxy]-1E-octene is an intermediate in the synthesis of 8-iso Misoprostol (I821345), a very widely sold analog of prostaglandin E1, which is potent but acts as a non-selective agonist towards the prostanoid EP receptor subgroup. |
Molecular Weight: | 340.32 |
Molecular Formula: | C12H25IOSi |
Canonical SMILES: | CCCCC(C)(CC=CI)O[Si](C)(C)C |
InChI: | InChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3/b11-8+ |
InChI Key: | QNNMQGJWDMVGRA-DHZHZOJOSA-N |
References: | Abramovitz, M. et al. Biochim. Biophys. Acta., 1483, 285 (2000). |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 340.07194 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.07194 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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