An official website of the United States government

2,5-Dimethyl-4-methyldiphenylsilylpyridine

PubChem CID
625705
Structure
2,5-Dimethyl-4-methyldiphenylsilylpyridine_small.png
2,5-Dimethyl-4-methyldiphenylsilylpyridine_3D_Structure.png
Molecular Formula
Synonyms
  • 2,5-Dimethyl-4-methyldiphenylsilylpyridine
  • CXSYEVRSDYRPFL-UHFFFAOYSA-N
  • 3,5-Dimethyl-4-[methyl(diphenyl)silyl]pyridine #
Molecular Weight
303.5 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2005-03-28
  • Modify:
    2024-12-07

1 Structures

1.1 2D Structure

Chemical Structure Depiction
2,5-Dimethyl-4-methyldiphenylsilylpyridine.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,5-dimethylpyridin-4-yl)-methyl-diphenylsilane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)

2.1.2 InChI

InChI=1S/C20H21NSi/c1-16-14-21-15-17(2)20(16)22(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15H,1-3H3
Computed by InChI 1.0.6 (PubChem release 2021.05.07)

2.1.3 InChIKey

CXSYEVRSDYRPFL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)

2.1.4 SMILES

CC1=CN=CC(=C1[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3)C
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)

2.2 Molecular Formula

C20H21NSi
Computed by PubChem 2.1 (PubChem release 2021.05.07)

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
303.5 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
303.144326209 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
303.144326209 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
12.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
316
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)

4 Spectral Information

4.1 Mass Spectrometry

4.1.1 GC-MS

1 of 2
NIST Number
216580
Library
Main library
Total Peaks
68
m/z Top Peak
288
m/z 2nd Highest
303
m/z 3rd Highest
210
Thumbnail
Thumbnail
2 of 2
Source of Spectrum
NP-10-2811-0
Copyright
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Information Sources

  1. NIST Mass Spectrometry Data Center
    LICENSE
    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
    2,5-Dimethyl-4-methyldiphenylsilylpyridine
    http://www.nist.gov/srd/nist1a.cfm
  2. SpectraBase
    3,5-Dimethyl-4-[methyl(diphenyl)silyl]pyridine
    https://spectrabase.com/spectrum/4VjVlaQMgFJ
  3. PubChem
CONTENTS