ethyl 2-(2-trimethylsilylethenylidene)pentanoate

C12H22O2Si — CID 134988506

IUPACethyl 2-(2-trimethylsilylethenylidene)pentanoate
SMILESCCCC(=C=C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h10H,6-8H2,1-5H3
InChIKeyRWSGRSATDMUCDI-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.31
Rot. Bonds5

About ethyl 2-(2-trimethylsilylethenylidene)pentanoate

ethyl 2-(2-trimethylsilylethenylidene)pentanoate (PubChem CID 134988506) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is ethyl 2-(2-trimethylsilylethenylidene)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-trimethylsilylethenylidene)pentanoate
PubChem CID134988506
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nameethyl 2-(2-trimethylsilylethenylidene)pentanoate
SMILESCCCC(=C=C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h10H,6-8H2,1-5H3
InChIKeyRWSGRSATDMUCDI-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-(2-trimethylsilylethenylidene)pentanoate?
The IUPAC name of ethyl 2-(2-trimethylsilylethenylidene)pentanoate (CID 134988506) is ethyl 2-(2-trimethylsilylethenylidene)pentanoate.
What is the SMILES notation for ethyl 2-(2-trimethylsilylethenylidene)pentanoate?
The canonical SMILES for ethyl 2-(2-trimethylsilylethenylidene)pentanoate is CCCC(=C=C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-trimethylsilylethenylidene)pentanoate?
The InChIKey is RWSGRSATDMUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-8-11(12(13)14-7-2)9-10-15(3,4)5/h10H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(2-trimethylsilylethenylidene)pentanoate?
ethyl 2-(2-trimethylsilylethenylidene)pentanoate has a molecular weight of 226.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-trimethylsilylethenylidene)pentanoate is sourced from PubChem (CID 134988506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).