ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate

C12H21BrO3Si — CID 11110035

IUPACethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate
SMILESCCOC(=O)C(C/C=C(\Br)[Si](C)(C)C)C(C)=O
InChIInChI=1S/C12H21BrO3Si/c1-6-16-12(15)10(9(2)14)7-8-11(13)17(3,4)5/h8,10H,6-7H2,1-5H3/b11-8+
InChIKeyVINXXMLVLWNCIM-DHZHZOJOSA-N
MW321.29 g/mol
LogP3.30
Rot. Bonds6

About ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate

ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate (PubChem CID 11110035) has the molecular formula C12H21BrO3Si and a molecular weight of 321.29 g/mol. Its IUPAC name is ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate
PubChem CID11110035
Molecular FormulaC12H21BrO3Si
Molecular Weight321.29 g/mol
Exact Mass320.04
IUPAC Nameethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate
SMILESCCOC(=O)C(C/C=C(\Br)[Si](C)(C)C)C(C)=O
InChIInChI=1S/C12H21BrO3Si/c1-6-16-12(15)10(9(2)14)7-8-11(13)17(3,4)5/h8,10H,6-7H2,1-5H3/b11-8+
InChIKeyVINXXMLVLWNCIM-DHZHZOJOSA-N
XLogP3.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-acetyl-5-methyl-6-sulfonylhex-4-enoate
CID 173458136
ethyl (E)-2-acetyl-7-oxooct-4-enoate
CID 12813372
(Z)-5-chloro-2-ethoxycarbonylhex-4-enoic acid
CID 88699154
ethyl (2S)-2-acetyl-5-methyl-4-oxohexanoate
CID 124668599
diethyl 2-[(2E)-4-acetyloxy-3-methylpenta-2,4-dienyl]propanedioate
CID 23239548
ethyl (Z)-2-acetyl-6-acetyloxy-4-cyclopropylhex-4-enoate
CID 102491157
dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate
CID 174367125
diethyl 2,7-diacetyloct-4-ynedioate
CID 19777474
ethyl 2-acetylpent-4-enoate;methanimidamide
CID 123313597
ethyl 2-(2-cyclohexylideneethyl)-3-oxobutanoate
CID 71735757
diethyl 2-acetyl-4-heptylidenepentanedioate
CID 71411269
ethane;ethyl 2-acetylhexanoate
CID 90770730

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate?
The IUPAC name of ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate (CID 11110035) is ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate.
What is the SMILES notation for ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate?
The canonical SMILES for ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate is CCOC(=O)C(C/C=C(\Br)[Si](C)(C)C)C(C)=O.
What is the InChIKey of ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate?
The InChIKey is VINXXMLVLWNCIM-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21BrO3Si/c1-6-16-12(15)10(9(2)14)7-8-11(13)17(3,4)5/h8,10H,6-7H2,1-5H3/b11-8+.
What are the key properties of ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate?
ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate has a molecular weight of 321.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-acetyl-5-bromo-5-trimethylsilylpent-4-enoate is sourced from PubChem (CID 11110035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).