ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate

C14H26O2Si — CID 11817670

IUPACethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate
SMILESCCC/C=C/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O2Si/c1-6-8-9-10-11-13(12-17(3,4)5)14(15)16-7-2/h9-11H,6-8,12H2,1-5H3/b10-9+,13-11-
InChIKeyVLFOALRJTSAVNX-LTCRFSFDSA-N
MW254.45 g/mol
LogP4.17
Rot. Bonds7

About ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate

ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate (PubChem CID 11817670) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate
PubChem CID11817670
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nameethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate
SMILESCCC/C=C/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H26O2Si/c1-6-8-9-10-11-13(12-17(3,4)5)14(15)16-7-2/h9-11H,6-8,12H2,1-5H3/b10-9+,13-11-
InChIKeyVLFOALRJTSAVNX-LTCRFSFDSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-Hexenyl 2-methyl-(E)-2-butenoate
CID 5353010
Z-3-Hexenyl tiglate
CID 5352469
(2E,4E)-5,9-dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 6272530
Hex-2-enyl 2-methylbut-2-enoate
CID 527119
5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester
CID 5380951
Ethyl e,e-2,4-dimethylhepta-2,4-dienoate
CID 11019497
methyl (2E,4E)-2-methyl-2,4-nonadienoate
CID 12446327
ethyl-(2E,4E,6E)-3,7-dimethyl-8-oxo-octatrienoate
CID 12875232
2-Hexenyl tiglate
CID 88531561
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate (CID 11817670) is ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate is CCC/C=C/C=C(/C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate?
The InChIKey is VLFOALRJTSAVNX-LTCRFSFDSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-8-9-10-11-13(12-17(3,4)5)14(15)16-7-2/h9-11H,6-8,12H2,1-5H3/b10-9+,13-11-.
What are the key properties of ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate?
ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate has a molecular weight of 254.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate is sourced from PubChem (CID 11817670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).