Silane, [[(1Z)-1-ethyl-1-propenyl]oxy]trimethyl- structure

3D Mol Similar

Silane, [[(1Z)-1-ethyl-1-propenyl]oxy]trimethyl-

: Iupac Name：trimethyl(pent-2-en-3-yloxy)silane; CAS No.: 51425-54-8; Molecular Weight：158.316; Modify Date.: 2023-03-12 11:14

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1. Names and Identifiers

: 1.1 Name; Silane, [[(1Z)-1-ethyl-1-propenyl]oxy]trimethyl-; 1.2 Synonyms; (Z)-3-Trimethylsiloxy-2-pentene 3-trimethylsilyloxy-2-pentene BMJHTFWPTJVYJV-UHFFFAOYSA-N CTK1G4802 CTK1G4803 Silane, [[(1Z)-1-ethyl-1-propen-1-yl]oxy]trimethyl- trimethyl(pent-2-en-3-yloxy)silane Trimethyl[(2Z)-2-penten-3-yloxy]silane; View all

1.3 CAS No.: 51425-54-8

1.4 CID: 10986519

1.5 Molecular Formula: C8H18OSi (isomer)

1.6 Inchi: InChI=1S/C8H18OSi/c1-6-8(7-2)9-10(3,4)5/h6H,7H2,1-5H3/b8-6-

1.7 InChIkey: BMJHTFWPTJVYJV-VURMDHGXSA-N

1.8 Canonical Smiles: CCC(=CC)O[Si](C)(C)C

1.9 Isomers Smiles: CC/C(=C/C)/O[Si](C)(C)C

2. Properties

2.1 Density: 0.8±0.1 g/cm3 (Predicted)

2.1 Boiling point: 142.0±8.0 °C at 760 mmHg (Predicted)

2.1 Refractive index: 1.419 (Predicted)

2.1 Flash Point: 29.3±8.3 °C (Predicted)

2.1 Precise Quality: 158.11300

2.1 PSA: 9.23000

2.1 logP: 3.15170

3. 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

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4. Synthesis Route

51425-54-8Total: 1 Synthesis Route

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96-22-0 105 Suppliers

51425-54-8 1 Suppliers

13435-12-6 47 Suppliers

Literatures:
Dedier, James; Gerval, Pierre; Frainnet, Emile Journal of Organometallic Chemistry, 1980 , vol. 185, # 2 p. 183 - 198
Yield: ~0%

5. Computational chemical data

Molecular Weight: 158.316g/mol
Molecular Formula: C₈H₁₈OSi
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 158.112691728
Monoisotopic Mass: 158.112691728
Complexity: 122
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 9.2
Heavy Atom Count: 10
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: AAADceBwIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAACASAgABCAAAAAAGAACBCAAAAAAAgIAAACAAAAAgAAAAAAQAAAAAAAAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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(Z)-3-Trimethylsiloxy-2-pentene