ethyl 2-methylidene-3-trimethylsilylperoxybutanoate

C10H20O4Si — CID 10036935

IUPACethyl 2-methylidene-3-trimethylsilylperoxybutanoate
SMILESC=C(C(=O)OCC)C(C)OO[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6/h9H,2,7H2,1,3-6H3
InChIKeyLTGHBOLNDFYGCQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.28
Rot. Bonds6

About ethyl 2-methylidene-3-trimethylsilylperoxybutanoate

ethyl 2-methylidene-3-trimethylsilylperoxybutanoate (PubChem CID 10036935) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is ethyl 2-methylidene-3-trimethylsilylperoxybutanoate.

Molecular Properties

Compound Nameethyl 2-methylidene-3-trimethylsilylperoxybutanoate
PubChem CID10036935
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Nameethyl 2-methylidene-3-trimethylsilylperoxybutanoate
SMILESC=C(C(=O)OCC)C(C)OO[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6/h9H,2,7H2,1,3-6H3
InChIKeyLTGHBOLNDFYGCQ-UHFFFAOYSA-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate?
The IUPAC name of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate (CID 10036935) is ethyl 2-methylidene-3-trimethylsilylperoxybutanoate.
What is the SMILES notation for ethyl 2-methylidene-3-trimethylsilylperoxybutanoate?
The canonical SMILES for ethyl 2-methylidene-3-trimethylsilylperoxybutanoate is C=C(C(=O)OCC)C(C)OO[Si](C)(C)C.
What is the InChIKey of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate?
The InChIKey is LTGHBOLNDFYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6/h9H,2,7H2,1,3-6H3.
What are the key properties of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate?
ethyl 2-methylidene-3-trimethylsilylperoxybutanoate 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 2-methylidene-3-trimethylsilylperoxybutanoate is sourced from PubChem (CID 10036935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).