ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate

C10H20O4Si — CID 5366435

IUPACethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-6-12-9(11)8-10(13-7-2)14-15(3,4)5/h8H,6-7H2,1-5H3/b10-8+
InChIKeyDZCOSLMRVSLTAK-CSKARUKUSA-N
MW232.35 g/mol
LogP2.28
Rot. Bonds6

About ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate

ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate (PubChem CID 5366435) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate
PubChem CID5366435
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Nameethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate
SMILESCCOC(=O)/C=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-6-12-9(11)8-10(13-7-2)14-15(3,4)5/h8H,6-7H2,1-5H3/b10-8+
InChIKeyDZCOSLMRVSLTAK-CSKARUKUSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.28
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 (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate?
The IUPAC name of ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate (CID 5366435) is ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate is CCOC(=O)/C=C(\OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate?
The InChIKey is DZCOSLMRVSLTAK-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-6-12-9(11)8-10(13-7-2)14-15(3,4)5/h8H,6-7H2,1-5H3/b10-8+.
What are the key properties of ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate?
ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate has a molecular weight of 232.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-ethoxy-3-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 5366435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).