bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate

C24H48O4Si2 — CID 5366939

IUPACbis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-23(2,3)29(7,8)27-21(25)19-17-15-13-11-12-14-16-18-20-22(26)28-30(9,10)24(4,5)6/h17,19H,11-16,18,20H2,1-10H3/b19-17+
InChIKeyXGZBHEVCUZRKHF-HTXNQAPBSA-N
MW456.82 g/mol
LogP7.76
Rot. Bonds12

About bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate

bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate (PubChem CID 5366939) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate
PubChem CID5366939
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-23(2,3)29(7,8)27-21(25)19-17-15-13-11-12-14-16-18-20-22(26)28-30(9,10)24(4,5)6/h17,19H,11-16,18,20H2,1-10H3/b19-17+
InChIKeyXGZBHEVCUZRKHF-HTXNQAPBSA-N
XLogP7.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.76
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[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate (CID 5366939) is bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate?
The InChIKey is XGZBHEVCUZRKHF-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-23(2,3)29(7,8)27-21(25)19-17-15-13-11-12-14-16-18-20-22(26)28-30(9,10)24(4,5)6/h17,19H,11-16,18,20H2,1-10H3/b19-17+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate has a molecular weight of 456.82 g/mol, XLogP of 7.76, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] (E)-dodec-2-enedioate is sourced from PubChem (CID 5366939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).