ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate

C16H28O3Si — CID 102183504

IUPACethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate
SMILESC=C(C/C(=C/C(=O)CCCC)[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H28O3Si/c1-7-9-10-14(17)12-15(20(4,5)6)11-13(3)16(18)19-8-2/h12H,3,7-11H2,1-2,4-6H3/b15-12-
InChIKeyICECTLAVAXSXFU-QINSGFPZSA-N
MW296.48 g/mol
LogP4.06
Rot. Bonds9

About ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate

ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate (PubChem CID 102183504) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate
PubChem CID102183504
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nameethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate
SMILESC=C(C/C(=C/C(=O)CCCC)[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H28O3Si/c1-7-9-10-14(17)12-15(20(4,5)6)11-13(3)16(18)19-8-2/h12H,3,7-11H2,1-2,4-6H3/b15-12-
InChIKeyICECTLAVAXSXFU-QINSGFPZSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-6-oxo-3-trimethylsilylhept-2-enoate
CID 23642760
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 134997825
ethyl (E)-2-but-3-enyl-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 135012716
ethyl (2E,6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,6,11-trimethyldodeca-2,6,10-trienoate
CID 135024074
ethyl (Z)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-enoate
CID 154722964
ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
CID 11097618
ethyl (E)-2-methyl-7-oxooct-2-enoate
CID 11842768
ethyl (Z)-2-(trimethylsilylmethyl)dec-2-enoate
CID 12100228
ethyl (Z)-7-oxo-2-(trimethylsilylmethyl)hept-2-enoate
CID 13773631
(E)-ethyl 7-(tert-butyldimethylsiloxy)-2-methyl-2-heptenate
CID 11055704

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate?
The IUPAC name of ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate (CID 102183504) is ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate.
What is the SMILES notation for ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate?
The canonical SMILES for ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate is C=C(C/C(=C/C(=O)CCCC)[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate?
The InChIKey is ICECTLAVAXSXFU-QINSGFPZSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-9-10-14(17)12-15(20(4,5)6)11-13(3)16(18)19-8-2/h12H,3,7-11H2,1-2,4-6H3/b15-12-.
What are the key properties of ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate?
ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate has a molecular weight of 296.48 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate is sourced from PubChem (CID 102183504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).