ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate

C11H20O2Si — CID 11845191

IUPACethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
SMILESC=CC/C(=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-8-10(14(3,4)5)9-11(12)13-7-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyPGWRUWXSHBYUJZ-MDZDMXLPSA-N
MW212.36 g/mol
LogP2.93
Rot. Bonds5

About ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate

ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate (PubChem CID 11845191) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate.

Molecular Properties

Compound Nameethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
PubChem CID11845191
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nameethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
SMILESC=CC/C(=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-8-10(14(3,4)5)9-11(12)13-7-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyPGWRUWXSHBYUJZ-MDZDMXLPSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate?
The IUPAC name of ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate (CID 11845191) is ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate.
What is the SMILES notation for ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate?
The canonical SMILES for ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate is C=CC/C(=C\C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate?
The InChIKey is PGWRUWXSHBYUJZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-8-10(14(3,4)5)9-11(12)13-7-2/h6,9H,1,7-8H2,2-5H3/b10-9+.
What are the key properties of ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate?
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate has a molecular weight of 212.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate is sourced from PubChem (CID 11845191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).