bis(trimethylsilyl) (E)-dodec-2-enedioate

C18H36O4Si2 — CID 5463675

IUPACbis(trimethylsilyl) (E)-dodec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h13,15H,7-12,14,16H2,1-6H3/b15-13+
InChIKeyXUSCELGAZUEVPT-FYWRMAATSA-N
MW372.65 g/mol
LogP5.42
Rot. Bonds12

About bis(trimethylsilyl) (E)-dodec-2-enedioate

bis(trimethylsilyl) (E)-dodec-2-enedioate (PubChem CID 5463675) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is bis(trimethylsilyl) (E)-dodec-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (E)-dodec-2-enedioate
PubChem CID5463675
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Namebis(trimethylsilyl) (E)-dodec-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h13,15H,7-12,14,16H2,1-6H3/b15-13+
InChIKeyXUSCELGAZUEVPT-FYWRMAATSA-N
XLogP5.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (E)-dodec-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (E)-dodec-2-enedioate (CID 5463675) is bis(trimethylsilyl) (E)-dodec-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (E)-dodec-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (E)-dodec-2-enedioate is C[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (E)-dodec-2-enedioate?
The InChIKey is XUSCELGAZUEVPT-FYWRMAATSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h13,15H,7-12,14,16H2,1-6H3/b15-13+.
What are the key properties of bis(trimethylsilyl) (E)-dodec-2-enedioate?
bis(trimethylsilyl) (E)-dodec-2-enedioate has a molecular weight of 372.65 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (E)-dodec-2-enedioate is sourced from PubChem (CID 5463675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).