trimethylsilyl (E)-oct-3-enoate

C11H22O2Si — CID 5366454

IUPACtrimethylsilyl (E)-oct-3-enoate
SMILESCCCC/C=C/CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
InChIKeyGAEWWZZQLZLEAZ-CMDGGOBGSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds6

About trimethylsilyl (E)-oct-3-enoate

trimethylsilyl (E)-oct-3-enoate (PubChem CID 5366454) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl (E)-oct-3-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-oct-3-enoate
PubChem CID5366454
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl (E)-oct-3-enoate
SMILESCCCC/C=C/CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
InChIKeyGAEWWZZQLZLEAZ-CMDGGOBGSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
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 (E)-oct-3-enoate?
The IUPAC name of trimethylsilyl (E)-oct-3-enoate (CID 5366454) is trimethylsilyl (E)-oct-3-enoate.
What is the SMILES notation for trimethylsilyl (E)-oct-3-enoate?
The canonical SMILES for trimethylsilyl (E)-oct-3-enoate is CCCC/C=C/CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-oct-3-enoate?
The InChIKey is GAEWWZZQLZLEAZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+.
What are the key properties of trimethylsilyl (E)-oct-3-enoate?
trimethylsilyl (E)-oct-3-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-oct-3-enoate is sourced from PubChem (CID 5366454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).