ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate

C13H24O3Si — CID 177462627

IUPACethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate
SMILESC=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-6-8-9-10-12(16-17(3,4)5)11-13(14)15-7-2/h6,11H,1,7-10H2,2-5H3/b12-11+
InChIKeyAMCYQRHJKKXAIX-VAWYXSNFSA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds8

About ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate

ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate (PubChem CID 177462627) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate.

Molecular Properties

Compound Nameethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate
PubChem CID177462627
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate
SMILESC=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-6-8-9-10-12(16-17(3,4)5)11-13(14)15-7-2/h6,11H,1,7-10H2,2-5H3/b12-11+
InChIKeyAMCYQRHJKKXAIX-VAWYXSNFSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-trimethylsilyloxyocta-2,7-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-trimethylsilyloxyocta-2,7-dienoate?
The IUPAC name of ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate (CID 177462627) is ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate.
What is the SMILES notation for ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate?
The canonical SMILES for ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate is C=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate?
The InChIKey is AMCYQRHJKKXAIX-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-8-9-10-12(16-17(3,4)5)11-13(14)15-7-2/h6,11H,1,7-10H2,2-5H3/b12-11+.
What are the key properties of ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate?
ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate has a molecular weight of 256.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate is sourced from PubChem (CID 177462627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).