ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate

C14H26O3Si — CID 11097618

IUPACethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C(=C/CCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10-11H,5-9,12H2,1-4H3/b13-10+
InChIKeyXUAAAAFZQCUFGO-JLHYYAGUSA-N
MW270.44 g/mol
LogP3.57
Rot. Bonds9

About ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate

ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate (PubChem CID 11097618) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
PubChem CID11097618
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C(=C/CCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10-11H,5-9,12H2,1-4H3/b13-10+
InChIKeyXUAAAAFZQCUFGO-JLHYYAGUSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate?
The IUPAC name of ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate (CID 11097618) is ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate.
What is the SMILES notation for ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate?
The canonical SMILES for ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate is CCOC(=O)/C(=C/CCCCC=O)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate?
The InChIKey is XUAAAAFZQCUFGO-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-5-17-14(16)13(12-18(2,3)4)10-8-6-7-9-11-15/h10-11H,5-9,12H2,1-4H3/b13-10+.
What are the key properties of ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate?
ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate is sourced from PubChem (CID 11097618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).