trimethylsilyl (E)-undec-2-enoate

C14H28O2Si — CID 5376996

IUPACtrimethylsilyl (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h12-13H,5-11H2,1-4H3/b13-12+
InChIKeyHDNUOSAGYVHCBG-OUKQBFOZSA-N
MW256.46 g/mol
LogP4.67
Rot. Bonds9

About trimethylsilyl (E)-undec-2-enoate

trimethylsilyl (E)-undec-2-enoate (PubChem CID 5376996) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is trimethylsilyl (E)-undec-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-undec-2-enoate
PubChem CID5376996
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametrimethylsilyl (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h12-13H,5-11H2,1-4H3/b13-12+
InChIKeyHDNUOSAGYVHCBG-OUKQBFOZSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.67
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-undec-2-enoate?
The IUPAC name of trimethylsilyl (E)-undec-2-enoate (CID 5376996) is trimethylsilyl (E)-undec-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-undec-2-enoate?
The canonical SMILES for trimethylsilyl (E)-undec-2-enoate is CCCCCCCC/C=C/C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-undec-2-enoate?
The InChIKey is HDNUOSAGYVHCBG-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h12-13H,5-11H2,1-4H3/b13-12+.
What are the key properties of trimethylsilyl (E)-undec-2-enoate?
trimethylsilyl (E)-undec-2-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-undec-2-enoate is sourced from PubChem (CID 5376996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).