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

C27H54O5Si — CID 102016755

IUPACtert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
SMILESCCOCCOCCCCCCCCC(C/C=C\C1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O5Si/c1-9-28-21-22-29-20-15-13-11-10-12-14-17-24(32-33(7,8)26(2,3)4)18-16-19-25-23-30-27(5,6)31-25/h16,19,24-25H,9-15,17-18,20-23H2,1-8H3/b19-16-
InChIKeyZDEXWMYZMJSIGU-MNDPQUGUSA-N
MW486.81 g/mol
LogP7.26
Rot. Bonds18

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

tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane (PubChem CID 102016755) 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-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
PubChem CID102016755
Molecular FormulaC27H54O5Si
Molecular Weight486.81 g/mol
Exact Mass486.37
IUPAC Nametert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
SMILESCCOCCOCCCCCCCCC(C/C=C\C1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54O5Si/c1-9-28-21-22-29-20-15-13-11-10-12-14-17-24(32-33(7,8)26(2,3)4)18-16-19-25-23-30-27(5,6)31-25/h16,19,24-25H,9-15,17-18,20-23H2,1-8H3/b19-16-
InChIKeyZDEXWMYZMJSIGU-MNDPQUGUSA-N
XLogP7.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.81
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-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-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane (CID 102016755) is tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-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-(2-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-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane is CCOCCOCCCCCCCCC(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-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?
The InChIKey is ZDEXWMYZMJSIGU-MNDPQUGUSA-N. The full InChI is InChI=1S/C27H54O5Si/c1-9-28-21-22-29-20-15-13-11-10-12-14-17-24(32-33(7,8)26(2,3)4)18-16-19-25-23-30-27(5,6)31-25/h16,19,24-25H,9-15,17-18,20-23H2,1-8H3/b19-16-.
What are the key properties of tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 486.81 g/mol, XLogP of 7.26, 18 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-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).