ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate

C15H28O4Si — CID 11426574

IUPACethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate
SMILESCCOC(=O)CC(=O)[C@H](O[Si](C)(C)C)[C@@H](C)C=C(C)C
InChIInChI=1S/C15H28O4Si/c1-8-18-14(17)10-13(16)15(19-20(5,6)7)12(4)9-11(2)3/h9,12,15H,8,10H2,1-7H3/t12-,15+/m0/s1
InChIKeyYUFVNISQFRFUQH-SWLSCSKDSA-N
MW300.47 g/mol
LogP3.33
Rot. Bonds8

About ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate

ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate (PubChem CID 11426574) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate.

Molecular Properties

Compound Nameethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate
PubChem CID11426574
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate
SMILESCCOC(=O)CC(=O)[C@H](O[Si](C)(C)C)[C@@H](C)C=C(C)C
InChIInChI=1S/C15H28O4Si/c1-8-18-14(17)10-13(16)15(19-20(5,6)7)12(4)9-11(2)3/h9,12,15H,8,10H2,1-7H3/t12-,15+/m0/s1
InChIKeyYUFVNISQFRFUQH-SWLSCSKDSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-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 (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The IUPAC name of ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate (CID 11426574) is ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate.
What is the SMILES notation for ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The canonical SMILES for ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate is CCOC(=O)CC(=O)[C@H](O[Si](C)(C)C)[C@@H](C)C=C(C)C.
What is the InChIKey of ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The InChIKey is YUFVNISQFRFUQH-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-18-14(17)10-13(16)15(19-20(5,6)7)12(4)9-11(2)3/h9,12,15H,8,10H2,1-7H3/t12-,15+/m0/s1.
What are the key properties of ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate?
ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-5,7-dimethyl-3-oxo-4-trimethylsilyloxyoct-6-enoate is sourced from PubChem (CID 11426574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).