ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate

C12H22O3Si — CID 11230257

IUPACethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate
SMILESC=CCC/C(=C\C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-9-11(15-16(3,4)5)10-12(13)14-7-2/h6,10H,1,7-9H2,2-5H3/b11-10+
InChIKeyUFSLFTGCMKDIJG-ZHACJKMWSA-N
MW242.39 g/mol
LogP3.25
Rot. Bonds7

About ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate

ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate (PubChem CID 11230257) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate
PubChem CID11230257
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Nameethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate
SMILESC=CCC/C(=C\C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-9-11(15-16(3,4)5)10-12(13)14-7-2/h6,10H,1,7-9H2,2-5H3/b11-10+
InChIKeyUFSLFTGCMKDIJG-ZHACJKMWSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate 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 (2E)-3-trimethylsilyloxyhepta-2,6-dienoate?
The IUPAC name of ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate (CID 11230257) is ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate.
What is the SMILES notation for ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate?
The canonical SMILES for ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate is C=CCC/C(=C\C(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate?
The InChIKey is UFSLFTGCMKDIJG-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-6-8-9-11(15-16(3,4)5)10-12(13)14-7-2/h6,10H,1,7-9H2,2-5H3/b11-10+.
What are the key properties of ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate?
ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate has a molecular weight of 242.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-trimethylsilyloxyhepta-2,6-dienoate is sourced from PubChem (CID 11230257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).