Silane, (1,1-dimethylethyl)[(2E)-2-hexenyloxy]dimethyl-
- CAS No.: 113997-32-3
- Molecular Weight:214.424
- Modify Date.: 2023-03-12 11:30
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 (isomer)
- 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 InChIkey
- 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. Properties
- 2.1 Density
- 0.8±0.1 g/cm3 (Predicted)
- 2.1 Boiling point
- 230.7±9.0 °C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.433 (Predicted)
- 2.1 Flash Point
- 87.6±8.9 °C (Predicted)
- 2.1 Precise Quality
- 214.17500
- 2.1 PSA
- 9.23000
- 2.1 logP
- 4.36450
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
5. Computational chemical data
- Molecular Weight: 214.424g/mol
- Molecular Formula: C12H26OSi
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 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==
7. Realated Product Infomation
-
18244-00-3
Silane, (chloroMethyl)(1,1-diMethylethyl)diMethyl-
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117635-44-6
Silane, (1,1-dimethylethyl)dimethyl(4-nitrophenoxy)-
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120506-39-0
Silane, [4-(bromomethyl)phenoxy](1,1-dimethylethyl)dimethyl-
-
103978-12-7
Silane, [(3-bromophenyl)methoxy](1,1-dimethylethyl)dimethyl-
-
131365-11-2
Silane, (3-bromo-1-propynyl)(1,1-dimethylethyl)dimethyl-
-
125320-20-9
Silane, [[4-(bromomethyl)phenyl]methoxy](1,1-dimethylethyl)dimethyl-
-
100751-65-3
Silane, [(6-bromo-2-naphthalenyl)oxy](1,1-dimethylethyl)dimethyl-