2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate

C15H30O4Si — CID 5366365

IUPAC2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
SMILESCCOC(C)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-17-14(3)19-13(2)9-8-10-15(16)18-11-12-20(4,5)6/h8,10,13-14H,7,9,11-12H2,1-6H3/b10-8+
InChIKeyXXGOCPHBWIBKTP-CSKARUKUSA-N
MW302.49 g/mol
LogP3.60
Rot. Bonds10

About 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate

2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate (PubChem CID 5366365) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
PubChem CID5366365
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
SMILESCCOC(C)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-17-14(3)19-13(2)9-8-10-15(16)18-11-12-20(4,5)6/h8,10,13-14H,7,9,11-12H2,1-6H3/b10-8+
InChIKeyXXGOCPHBWIBKTP-CSKARUKUSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The IUPAC name of 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate (CID 5366365) is 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate is CCOC(C)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The InChIKey is XXGOCPHBWIBKTP-CSKARUKUSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-17-14(3)19-13(2)9-8-10-15(16)18-11-12-20(4,5)6/h8,10,13-14H,7,9,11-12H2,1-6H3/b10-8+.
What are the key properties of 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate has a molecular weight of 302.49 g/mol, XLogP of 3.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate is sourced from PubChem (CID 5366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).