ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate

C14H24O3Si — CID 102360605

IUPACethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate
SMILESC=C(CC/C=C/C[Si](C)(C)C)C(=O)C(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9H,2,6,8,10-11H2,1,3-5H3/b9-7+
InChIKeyMQMALFYYZDGYCW-VQHVLOKHSA-N
MW268.43 g/mol
LogP3.35
Rot. Bonds8

About ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate

ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate (PubChem CID 102360605) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate.

Molecular Properties

Compound Nameethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate
PubChem CID102360605
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Nameethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate
SMILESC=C(CC/C=C/C[Si](C)(C)C)C(=O)C(=O)OCC
InChIInChI=1S/C14H24O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9H,2,6,8,10-11H2,1,3-5H3/b9-7+
InChIKeyMQMALFYYZDGYCW-VQHVLOKHSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.35
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 7-methyl-2-oxooct-6-enoate
CID 85879890
[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate
CID 11778438
methyl (E)-8-[tert-butyl(dimethyl)silyl]oxy-2-oxooct-6-enoate
CID 101856083
ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate
CID 102360603
ethyl (E,3R)-3-methyl-2-oxo-8-trimethylsilyloct-6-enoate
CID 102360606
ethyl (E)-5-methylidene-2-oxo-8-trimethylsilyloct-6-enoate
CID 102360608

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate?
The IUPAC name of ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate (CID 102360605) is ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate.
What is the SMILES notation for ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate?
The canonical SMILES for ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate is C=C(CC/C=C/C[Si](C)(C)C)C(=O)C(=O)OCC.
What is the InChIKey of ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate?
The InChIKey is MQMALFYYZDGYCW-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-6-17-14(16)13(15)12(2)10-8-7-9-11-18(3,4)5/h7,9H,2,6,8,10-11H2,1,3-5H3/b9-7+.
What are the key properties of ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate?
ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate has a molecular weight of 268.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate is sourced from PubChem (CID 102360605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).