tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane

C27H54O5Si — CID 10743565

About tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane (PubChem CID 10743565) has the molecular formula C27H54O5Si and a molecular weight of 486.81 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
• PubChem CID: 10743565
• Molecular Formula: C27H54O5Si
• Molecular Weight: 486.81 g/mol
• Exact Mass: 486.37
• IUPAC Name: tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
• SMILES: CCOC(C)OCCCCCCCCC(C/C=C\C1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H54O5Si/c1-10-28-23(2)29-21-16-14-12-11-13-15-18-24(32-33(8,9)26(3,4)5)19-17-20-25-22-30-27(6,7)31-25/h17,20,23-25H,10-16,18-19,21-22H2,1-9H3/b20-17-
• InChIKey: NZPUPRFVDFKWCU-JZJYNLBNSA-N
• XLogP: 7.60
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.81
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane (CID 10743565) is tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane is CCOC(C)OCCCCCCCCC(C/C=C\C1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?

The InChIKey is NZPUPRFVDFKWCU-JZJYNLBNSA-N. The full InChI is InChI=1S/C27H54O5Si/c1-10-28-23(2)29-21-16-14-12-11-13-15-18-24(32-33(8,9)26(3,4)5)19-17-20-25-22-30-27(6,7)31-25/h17,20,23-25H,10-16,18-19,21-22H2,1-9H3/b20-17-.

What are the key properties of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?

tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 486.81 g/mol, XLogP of 7.60, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 10743565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).