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Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl-
1. Names and Identifiers
- 1.1 Name
- Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl-
- 1.2 Synonyms
- [(2E)-2-Hexen-1-yloxy](dimethyl)(2-methyl-2-propanyl)silane; Silane, (1,1-dimethylethyl)[(2E)-2-hexen-1-yloxy]dimethyl-;
- 1.3 CAS No.
- 113997-32-3
- 1.4 CID
- 10987644
- 1.5 Molecular Formula
- C12H26OSi
- 1.6 Inchi
- InChI=1S/C12H26OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h9-10H,7-8,11H2,1-6H3/b10-9+
- 1.7 InChkey
- MQFOBDJOQKRVRW-MDZDMXLPSA-N
- 1.8 Canonical Smiles
- CCCC=CCO[Si](C)(C)C(C)(C)C
- 1.9 Isomers Smiles
- CCC/C=C/CO[Si](C)(C)C(C)(C)C
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. NMR Spectrum
4. Computed Properties
- Molecular Weight：214.424g/mol
- Molecular Formula：C12H26OSi
- Compound Is Canonicalized：True
- XLogP3-AA：214.175291983
- Monoisotopic Mass：214.175291983
- Complexity：177
- Rotatable Bond Count：6
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：1
- Topological Polar Surface Area：9.2
- Heavy Atom Count：：14
- 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：AAADceBwIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAADACgoAJCAAAAAAGAACBCAAAAAAAgAAAICAAAAAgABAAAAQAAEAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
EN![Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl- structure](https://structimg.guidechem.com/8/56/746815.png)
![13C NMR : Predict Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl- 113997-32-3](https://imgen1.guidechem.com/img/tupu/new/1495192233737013.png)
![1H NMR : Predict Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl- 113997-32-3](https://imgen1.guidechem.com/img/tupu/new/1495192233816096.png)