ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate

C14H26O3Si — CID 102360606

IUPACethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)C(=O)[C@H](C)CC/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+/t12-/m1/s1
InChIKeyBHOQMXJXRUCZKS-YPUOHESYSA-N
MW270.44 g/mol
LogP3.43
Rot. Bonds8

About ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate

ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate (PubChem CID 102360606) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate.

Molecular Properties

Compound Nameethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate
PubChem CID102360606
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)C(=O)[C@H](C)CC/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+/t12-/m1/s1
InChIKeyBHOQMXJXRUCZKS-YPUOHESYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-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

Related Compounds

ethyl (Z)-2-methylhept-5-enoate
CID 88926981
lithium (1E)-1-ethoxy-2-ethoxycarbonyl-3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)octa-1,6-dien-1-olate
CID 164685471
ethyl 2-methyl-5-oxopentanoate
CID 57121376
ethyl (3S)-3-hydroxy-2-methylidenebutanoate
CID 11094746
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651
trimethyl-[(Z)-4-trimethylsilylbut-2-enyl]silane
CID 10976510
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
ethyl 3-hydroxy-5-imino-4-methyl-2-oxopentanoate
CID 91114703
ethyl 2-propyloct-5-enoate
CID 140550038
ethyl 3-methyl-2-oxobutanoate;2-methyl-3-oxopropanoic acid
CID 175017150

Frequently Asked Questions

What is the IUPAC name of ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate?
The IUPAC name of ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate (CID 102360606) is ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate.
What is the SMILES notation for ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate?
The canonical SMILES for ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate is CCOC(=O)C(=O)[C@H](C)CC/C=C/C[Si](C)(C)C.
What is the InChIKey of ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate?
The InChIKey is BHOQMXJXRUCZKS-YPUOHESYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+/t12-/m1/s1.
What are the key properties of ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate?
ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate is sourced from PubChem (CID 102360606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).