ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate

C11H18O2Si — CID 15858658

IUPACethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(\C)C#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-6-13-11(12)9-10(2)7-8-14(3,4)5/h9H,6H2,1-5H3/b10-9+
InChIKeyLWQQDRNQVCVBPA-MDZDMXLPSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds2

About ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate

ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate (PubChem CID 15858658) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate
PubChem CID15858658
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Nameethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(\C)C#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-6-13-11(12)9-10(2)7-8-14(3,4)5/h9H,6H2,1-5H3/b10-9+
InChIKeyLWQQDRNQVCVBPA-MDZDMXLPSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate?
The IUPAC name of ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate (CID 15858658) is ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate.
What is the SMILES notation for ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate?
The canonical SMILES for ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate is CCOC(=O)/C=C(\C)C#C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate?
The InChIKey is LWQQDRNQVCVBPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-13-11(12)9-10(2)7-8-14(3,4)5/h9H,6H2,1-5H3/b10-9+.
What are the key properties of ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate?
ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-methyl-5-trimethylsilylpent-2-en-4-ynoate is sourced from PubChem (CID 15858658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).