Bis(tributylstannyl) 2-dodec-1-enylbutanedioate
PubChem CID
73307720
Structure
Molecular Formula
Synonyms
DTXSID90894859
Molecular Weight
862.5 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2014-03-25
- Modify:2024-12-07
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, too flexible
bis(tributylstannyl) 2-dodec-1-enylbutanedioate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C16H28O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;6*1-3-4-2;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
VJYUIVXVEDUIPZ-UHFFFAOYSA-L
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCC=CC(CC(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C40H80O4Sn2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
12379-54-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
862.5 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 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
35
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
862.40947 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
864.41007 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
52.6Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
46
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
710
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
1
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
1
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 2012.11.26)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=VJYUIVXVEDUIPZ-UHFFFAOYSA-L
- EPA DSSToxBis(tributyltin) dodecenylsuccinatehttps://comptox.epa.gov/dashboard/DTXSID90894859CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- WikidataBis(tributyltin) dodecenylsuccinatehttps://www.wikidata.org/wiki/Q81987832
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- PATENTSCOPE (WIPO)SID 392257721https://pubchem.ncbi.nlm.nih.gov/substance/392257721
- NCBI
CONTENTS