ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate

C11H18O2Si — CID 14117245

IUPACethyl 2-methylidene-5-trimethylsilylpent-4-ynoate
SMILESC=C(CC#C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C11H18O2Si/c1-6-13-11(12)10(2)8-7-9-14(3,4)5/h2,6,8H2,1,3-5H3
InChIKeyXLKGTQGFYUYGGN-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate

ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate (PubChem CID 14117245) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Nameethyl 2-methylidene-5-trimethylsilylpent-4-ynoate
PubChem CID14117245
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Nameethyl 2-methylidene-5-trimethylsilylpent-4-ynoate
SMILESC=C(CC#C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C11H18O2Si/c1-6-13-11(12)10(2)8-7-9-14(3,4)5/h2,6,8H2,1,3-5H3
InChIKeyXLKGTQGFYUYGGN-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate?
The IUPAC name of ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate (CID 14117245) is ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate is C=C(CC#C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate?
The InChIKey is XLKGTQGFYUYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-13-11(12)10(2)8-7-9-14(3,4)5/h2,6,8H2,1,3-5H3.
What are the key properties of ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate?
ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 14117245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).