methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate

C13H22O3Si — CID 134916393

IUPACmethyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate
SMILESCCOC/C=C(\C#C[Si](C)(C)C)CC(=O)OC
InChIInChI=1S/C13H22O3Si/c1-6-16-9-7-12(11-13(14)15-2)8-10-17(3,4)5/h7H,6,9,11H2,1-5H3/b12-7+
InChIKeyKEVXNEPLECMBBM-KPKJPENVSA-N
MW254.40 g/mol
LogP2.39
Rot. Bonds5

About methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate

methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate (PubChem CID 134916393) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate
PubChem CID134916393
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Namemethyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate
SMILESCCOC/C=C(\C#C[Si](C)(C)C)CC(=O)OC
InChIInChI=1S/C13H22O3Si/c1-6-16-9-7-12(11-13(14)15-2)8-10-17(3,4)5/h7H,6,9,11H2,1-5H3/b12-7+
InChIKeyKEVXNEPLECMBBM-KPKJPENVSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate?
The IUPAC name of methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate (CID 134916393) is methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate?
The canonical SMILES for methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate is CCOC/C=C(\C#C[Si](C)(C)C)CC(=O)OC.
What is the InChIKey of methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate?
The InChIKey is KEVXNEPLECMBBM-KPKJPENVSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-6-16-9-7-12(11-13(14)15-2)8-10-17(3,4)5/h7H,6,9,11H2,1-5H3/b12-7+.
What are the key properties of methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate?
methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate has a molecular weight of 254.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-ethoxy-3-(2-trimethylsilylethynyl)pent-3-enoate is sourced from PubChem (CID 134916393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).