trimethylsilyl (Z)-dodec-5-enoate

C15H30O2Si — CID 91709835

IUPACtrimethylsilyl (Z)-dodec-5-enoate
SMILESCCCCCC/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h10-11H,5-9,12-14H2,1-4H3/b11-10-
InChIKeyMHKHFLVEYCFJDE-KHPPLWFESA-N
MW270.49 g/mol
LogP5.06
Rot. Bonds10

About trimethylsilyl (Z)-dodec-5-enoate

trimethylsilyl (Z)-dodec-5-enoate (PubChem CID 91709835) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is trimethylsilyl (Z)-dodec-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-dodec-5-enoate
PubChem CID91709835
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametrimethylsilyl (Z)-dodec-5-enoate
SMILESCCCCCC/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h10-11H,5-9,12-14H2,1-4H3/b11-10-
InChIKeyMHKHFLVEYCFJDE-KHPPLWFESA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl (Z)-dodec-5-enoate?
The IUPAC name of trimethylsilyl (Z)-dodec-5-enoate (CID 91709835) is trimethylsilyl (Z)-dodec-5-enoate.
What is the SMILES notation for trimethylsilyl (Z)-dodec-5-enoate?
The canonical SMILES for trimethylsilyl (Z)-dodec-5-enoate is CCCCCC/C=C\CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-dodec-5-enoate?
The InChIKey is MHKHFLVEYCFJDE-KHPPLWFESA-N. The full InChI is InChI=1S/C15H30O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h10-11H,5-9,12-14H2,1-4H3/b11-10-.
What are the key properties of trimethylsilyl (Z)-dodec-5-enoate?
trimethylsilyl (Z)-dodec-5-enoate has a molecular weight of 270.49 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-dodec-5-enoate is sourced from PubChem (CID 91709835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).