ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane

C13H28O4Si — CID 23170078

IUPACethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane
SMILESC=C(C(=O)OCC)C(C)OO[Si](C)(C)C.CCC
InChIInChI=1S/C10H20O4Si.C3H8/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6;1-3-2/h9H,2,7H2,1,3-6H3;3H2,1-2H3
InChIKeyZDJVYANFUGYNKQ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.69
Rot. Bonds6

About ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane

ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane (PubChem CID 23170078) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane.

Molecular Properties

Compound Nameethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane
PubChem CID23170078
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane
SMILESC=C(C(=O)OCC)C(C)OO[Si](C)(C)C.CCC
InChIInChI=1S/C10H20O4Si.C3H8/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6;1-3-2/h9H,2,7H2,1,3-6H3;3H2,1-2H3
InChIKeyZDJVYANFUGYNKQ-UHFFFAOYSA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.69
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;propane?
The IUPAC name of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane (CID 23170078) is ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane.
What is the SMILES notation for ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane?
The canonical SMILES for ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane is C=C(C(=O)OCC)C(C)OO[Si](C)(C)C.CCC.
What is the InChIKey of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane?
The InChIKey is ZDJVYANFUGYNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si.C3H8/c1-7-12-10(11)8(2)9(3)13-14-15(4,5)6;1-3-2/h9H,2,7H2,1,3-6H3;3H2,1-2H3.
What are the key properties of ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane?
ethyl 2-methylidene-3-trimethylsilylperoxybutanoate;propane has a molecular weight of 276.45 g/mol, XLogP of 3.69, 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;propane is sourced from PubChem (CID 23170078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).