Basic information
- Standard SMILES
C#CC1(O)CCC2C3CCc4cc(O[Si](C)(C)C)ccc4C3CCC21C- InChIKey
OPWNBYUFDFXXHX-UHFFFAOYSA-N- Molecular formula
- C23H32O2Si
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 368.21715679
Names & identifiers
- Preferred name
- Ethinyl estradiol TMS derivative
- IUPAC
- 17-ethynyl-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
Ethinyl estradiol TMS derivativeEthinyl estradiol, TMS derivativeOPWNBYUFDFXXHX-UHFFFAOYSA-NDTXSID20135924017.alpha.-Ethynylestradiol, 3-trimethylsilyl ether
Database identifiers
- PubChem CID
- 91741007
- DTXSID
DTXSID201359240
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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