ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate

C15H36O6Si4 — CID 88625505

IUPACethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
SMILESCCOC(=O)/C(C)=C/O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-12-17-15(16)14(2)13-18-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13H,12H2,1-11H3/b14-13+
InChIKeyFPGYBWMAPIDQBM-BUHFOSPRSA-N
MW424.79 g/mol
LogP4.46
Rot. Bonds10

About ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate

ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate (PubChem CID 88625505) has the molecular formula C15H36O6Si4 and a molecular weight of 424.79 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
PubChem CID88625505
Molecular FormulaC15H36O6Si4
Molecular Weight424.79 g/mol
Exact Mass424.16
IUPAC Nameethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
SMILESCCOC(=O)/C(C)=C/O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O6Si4/c1-12-17-15(16)14(2)13-18-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13H,12H2,1-11H3/b14-13+
InChIKeyFPGYBWMAPIDQBM-BUHFOSPRSA-N
XLogP4.46
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate (CID 88625505) is ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate is CCOC(=O)/C(C)=C/O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate?
The InChIKey is FPGYBWMAPIDQBM-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H36O6Si4/c1-12-17-15(16)14(2)13-18-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h13H,12H2,1-11H3/b14-13+.
What are the key properties of ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate?
ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate has a molecular weight of 424.79 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate is sourced from PubChem (CID 88625505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).