tert-butyl-[(E)-hex-2-enoxy]-diphenylsilane
- Iupac Name：tert-butyl-[(E)-hex-2-enoxy]-diphenylsilane
- CAS No.: 11997-33-4
- Molecular Weight：338.6
- Modify Date.: 2022-07-26 19:31
1. Names and Identifiers
- 1.1 Name
- tert-butyl-[(E)-hex-2-enoxy]-diphenylsilane
- 1.2 CAS No.
- 11997-33-4
- 1.3 CID
- 14113189
- 1.4 Molecular Formula
- C22H30OSi (isomer)
- 1.5 Inchi
- InChI=1S/C22H30OSi/c1-5-6-7-14-19-23-24(22(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-18H,5-6,19H2,1-4H3/b14-7+
- 1.6 InChIkey
- LCGCIYKOOGAFHO-VGOFMYFVSA-N
- 1.7 Canonical Smiles
- CCCC=CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C
- 1.8 Isomers Smiles
- CCC/C=C/CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C
2. Properties
- 2.1 PSA
- 9.23000
- 2.1 logP
- 4.91930
3. Computational chemical data
- Molecular Weight: 338.6g/mol
- Molecular Formula: C22H30OSi
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 338.206592111
- Monoisotopic Mass: 338.206592111
- Complexity: 352
- Rotatable Bond Count: 8
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 9.2
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB4IAgAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGhAAAEAADACgsAIyAIAAAAGAACBCAAACAAAgAAAIiAAAAIgIJCKAERCAMAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
![tert-butyl-[(E)-hex-2-enoxy]-diphenylsilane structure](http://structimg.guidechem.com/3/39/5663378.png)
![Tert-butyl-[6-[tert-butyl(dimethyl)silyl]hex-3-en-1,5-diynyl]-dimethylsilane](https://structimg.guidechem.com/2/26/3594145.png)
![2-[(E)-hex-3-enoxy]-3-methyl-cyclopent-2-en-1-one](https://structimg.guidechem.com/11/59/142078.png)
skype