Silacyclopent-3-ene, 1,1,3-trimethyl- structure

3D Mol Similar

Silacyclopent-3-ene, 1,1,3-trimethyl-

: Iupac Name：1,1,3-trimethyl-2,5-dihydrosilole; CAS No.: 3528-14-1; Molecular Weight：126.274; Modify Date.: 2023-02-14 00:09

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Silacyclopent-3-ene, 1,1,3-trimethyl-; 1.2 Synonyms; 1,1,3-Trimethyl-1-sila-3-cyclopentene 1,1,3-Trimethyl-1-silacyclo-3-pentene 1,1,3-trimethyl-1-silacyclopent-3-ene 1,1,3-trimethyl-2,5-dihydro-1H-silole 1,1,3-Trimethyl-2,5-dihydro-1H-silole # 1,1,3-trimethyl-2,5-dihydrosilole 1,1,3-trimethylsilacyclopent-3-ene 1.1.3-trimethyl-1-silacyclopent-3-en CTK1B7058 DTXSID30341579 methyl-3 dimethyl-1,1 sila cyclopentene-3 Silacyclopent-3-ene,1,1,3-trimethyl; View all

1.3 CAS No.: 3528-14-1

1.4 CID: 574105

1.5 Molecular Formula: C7H14Si (isomer)

1.6 Inchi: InChI=1S/C7H14Si/c1-7-4-5-8(2,3)6-7/h4H,5-6H2,1-3H3

1.7 InChIkey: JMEYPJTVYUGLDT-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=CC[Si](C1)(C)C

1.9 Isomers Smiles: CC1=CC[Si](C1)(C)C

2. Properties

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

2.1 Boiling point: 126.2±9.0 °C at 760 mmHg (Predicted)

2.1 Refractive index: 1.442 (Predicted)

2.1 Flash Point: 15.0±12.3 °C (Predicted)

2.1 Precise Quality: 126.08600

2.1 PSA: 0 ?2

2.1 logP: 2.65470

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

View all

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

3528-14-1Total: 5 Synthesis Route

38795-94-7

33546-39-3

35850-44-3

3528-14-1

Literatures:
Manuel, Georges; Faucher, Alfreda; Mazerolles, Pierre Journal of Organometallic Chemistry, 1984 , vol. 264, # 1-2 p. 127 - 134
Yield: ~0%

75-78-5 7 Suppliers

78-79-5 51 Suppliers

3528-14-1

Literatures:
Dunogues,J. et al. Journal of Organometallic Chemistry, 1973 , vol. 63, p. 119 - 131
Yield: null

1825-68-9 20 Suppliers

78-79-5 51 Suppliers

3528-14-1

Literatures:
Weyenberg,D.R. et al. Journal of Organic Chemistry, 1968 , vol. 33, # 5 p. 1975 - 1982
Yield: null

View all

6. Precursor and Product

precursor:

75-16-1

75-78-5

86840-61-1

1825-68-9

38795-94-7

37862-78-5

78-79-5

product :

17936-93-5

59586-93-5

7. Computational chemical data

Molecular Weight: 126.274g/mol
Molecular Formula: C₇H₁₄Si
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 126.086476981
Monoisotopic Mass: 126.086476981
Complexity: 122
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgAAgAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGBAAAAAADACAIABCAAAAAAGAAiBCAAAAAAAAAAAACAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Realated Product Infomation

67059-49-8 1,1-DIETHOXY-1-SILACYCLOPENT-3-ENE

24429-73-0 1-chloro-1-methyl-silacyclopent-3-ene

84814-09-5 1,3-Bis(1,1-dimethylethyl)-2,2-dimethyl-1,3-diaza-2-silacyclopent-4-ene

504-96-1 7,11,15-trimethyl-3-methylidene-hexadec-1-ene

2437-97-0 6-Oxabicyclo[3.2.1]oct-3-ene,4,7,7-trimethyl-

67762-73-6 Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized

60068-02-2 2,6,6-TRIMETHYL-3-ISOBUTOXYCYCLOHEX-2-EN-1-ONE

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