ethyl 2-methylidene-4-trimethylsilylbutanoate

C10H20O2Si — CID 11424203

IUPACethyl 2-methylidene-4-trimethylsilylbutanoate
SMILESC=C(CC[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C10H20O2Si/c1-6-12-10(11)9(2)7-8-13(3,4)5/h2,6-8H2,1,3-5H3
InChIKeyREGGVASDNZQESC-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-methylidene-4-trimethylsilylbutanoate

ethyl 2-methylidene-4-trimethylsilylbutanoate (PubChem CID 11424203) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl 2-methylidene-4-trimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl 2-methylidene-4-trimethylsilylbutanoate
PubChem CID11424203
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-methylidene-4-trimethylsilylbutanoate
SMILESC=C(CC[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C10H20O2Si/c1-6-12-10(11)9(2)7-8-13(3,4)5/h2,6-8H2,1,3-5H3
InChIKeyREGGVASDNZQESC-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-methylidene-4-trimethylsilylbutanoate?
The IUPAC name of ethyl 2-methylidene-4-trimethylsilylbutanoate (CID 11424203) is ethyl 2-methylidene-4-trimethylsilylbutanoate.
What is the SMILES notation for ethyl 2-methylidene-4-trimethylsilylbutanoate?
The canonical SMILES for ethyl 2-methylidene-4-trimethylsilylbutanoate is C=C(CC[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-methylidene-4-trimethylsilylbutanoate?
The InChIKey is REGGVASDNZQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-12-10(11)9(2)7-8-13(3,4)5/h2,6-8H2,1,3-5H3.
What are the key properties of ethyl 2-methylidene-4-trimethylsilylbutanoate?
ethyl 2-methylidene-4-trimethylsilylbutanoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-4-trimethylsilylbutanoate is sourced from PubChem (CID 11424203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).