trimethylsilyl 2-ethenylundecanoate

C16H32O2Si — CID 54439098

IUPACtrimethylsilyl 2-ethenylundecanoate
SMILESC=CC(CCCCCCCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-6-8-9-10-11-12-13-14-15(7-2)16(17)18-19(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyWMUUHMDZCYQUBB-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.31
Rot. Bonds11

About trimethylsilyl 2-ethenylundecanoate

trimethylsilyl 2-ethenylundecanoate (PubChem CID 54439098) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is trimethylsilyl 2-ethenylundecanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethenylundecanoate
PubChem CID54439098
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametrimethylsilyl 2-ethenylundecanoate
SMILESC=CC(CCCCCCCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-6-8-9-10-11-12-13-14-15(7-2)16(17)18-19(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyWMUUHMDZCYQUBB-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.31
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 2-ethenylundecanoate?
The IUPAC name of trimethylsilyl 2-ethenylundecanoate (CID 54439098) is trimethylsilyl 2-ethenylundecanoate.
What is the SMILES notation for trimethylsilyl 2-ethenylundecanoate?
The canonical SMILES for trimethylsilyl 2-ethenylundecanoate is C=CC(CCCCCCCCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-ethenylundecanoate?
The InChIKey is WMUUHMDZCYQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-6-8-9-10-11-12-13-14-15(7-2)16(17)18-19(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3.
What are the key properties of trimethylsilyl 2-ethenylundecanoate?
trimethylsilyl 2-ethenylundecanoate has a molecular weight of 284.52 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethenylundecanoate is sourced from PubChem (CID 54439098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).