ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate

C14H28O4Si — CID 11219957

IUPACethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate
SMILESCCCC/C(C(=O)OCC)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-10-11-12(13(15)16-8-2)14(17-9-3)18-19(4,5)6/h7-11H2,1-6H3/b14-12+
InChIKeyMSLFKSNOWNWGSG-WYMLVPIESA-N
MW288.46 g/mol
LogP3.84
Rot. Bonds9

About ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate

ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate (PubChem CID 11219957) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate
PubChem CID11219957
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate
SMILESCCCC/C(C(=O)OCC)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-10-11-12(13(15)16-8-2)14(17-9-3)18-19(4,5)6/h7-11H2,1-6H3/b14-12+
InChIKeyMSLFKSNOWNWGSG-WYMLVPIESA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate?
The IUPAC name of ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate (CID 11219957) is ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate.
What is the SMILES notation for ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate?
The canonical SMILES for ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate is CCCC/C(C(=O)OCC)=C(/OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate?
The InChIKey is MSLFKSNOWNWGSG-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-10-11-12(13(15)16-8-2)14(17-9-3)18-19(4,5)6/h7-11H2,1-6H3/b14-12+.
What are the key properties of ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate?
ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate has a molecular weight of 288.46 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[ethoxy(trimethylsilyloxy)methylidene]hexanoate is sourced from PubChem (CID 11219957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).