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1,3-Bis(trimethoxysilylpropyl)benzene

PubChem CID
89766447
Structure
1,3-Bis(trimethoxysilylpropyl)benzene_small.png
1,3-Bis(trimethoxysilylpropyl)benzene_3D_Structure.png
Molecular Formula
Synonyms
  • 1,3-BIS(TRIMETHOXYSILYLPROPYL)BENZENE
  • 1356113-25-1
  • 1,3-Bis(1-(trimethoxysilyl)propyl)benzene
  • 1,3-Bis[1-(trimethoxysilyl)propyl]benzene
  • SCHEMBL15209649
Molecular Weight
402.6 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2015-02-13
  • Modify:
    2024-12-07

1 Structures

1.1 2D Structure

Chemical Structure Depiction
1,3-Bis(trimethoxysilylpropyl)benzene.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethoxy-[1-[3-(1-trimethoxysilylpropyl)phenyl]propyl]silane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)

2.1.2 InChI

InChI=1S/C18H34O6Si2/c1-9-17(25(19-3,20-4)21-5)15-12-11-13-16(14-15)18(10-2)26(22-6,23-7)24-8/h11-14,17-18H,9-10H2,1-8H3
Computed by InChI 1.0.6 (PubChem release 2021.05.07)

2.1.3 InChIKey

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

2.1.4 SMILES

CCC(C1=CC(=CC=C1)C(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)

2.2 Molecular Formula

C18H34O6Si2
Computed by PubChem 2.1 (PubChem release 2021.05.07)

2.3 Other Identifiers

2.3.1 CAS

2.3.2 DSSTox Substance ID

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
402.6 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
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
402.18939187 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
402.18939187 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
55.4Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
339
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
2
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)

5 Chemical Vendors

6 Information Sources

  1. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    1,3-Bis[1-(trimethoxysilyl)propyl]benzene
    https://commonchemistry.cas.org/detail?cas_rn=1356113-25-1
  2. EPA DSSTox
    1,3-Bis[1-(trimethoxysilyl)propyl]benzene
    https://comptox.epa.gov/dashboard/DTXSID001271981
  3. PubChem
CONTENTS