2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate

C11H19IO2Si — CID 11056864

IUPAC2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
SMILESCC(/C=C/I)=C\C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H19IO2Si/c1-10(5-6-12)9-11(13)14-7-8-15(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+,10-9+
InChIKeyAUJHWIWLTNBLED-QPHGKBKNSA-N
MW338.26 g/mol
LogP3.76
Rot. Bonds5

About 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate

2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate (PubChem CID 11056864) has the molecular formula C11H19IO2Si and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
PubChem CID11056864
Molecular FormulaC11H19IO2Si
Molecular Weight338.26 g/mol
Exact Mass338.02
IUPAC Name2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
SMILESCC(/C=C/I)=C\C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H19IO2Si/c1-10(5-6-12)9-11(13)14-7-8-15(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+,10-9+
InChIKeyAUJHWIWLTNBLED-QPHGKBKNSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
CID 11780426
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
CID 15261962
ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
CID 11043708
ethyl (2E,4E,6Z,8E)-9-iodo-3,7-dimethylnona-2,4,6,8-tetraenoate
CID 11002079
ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
CID 11448091
[dimethyl(2-methylidenebut-3-enyl)silyl]methyl (E)-but-2-enoate
CID 12164306
[Dimethyl(2-methylidenebut-3-enyl)silyl]methyl 3-methylbut-2-enoate
CID 12164308
ethyl (2E,4E,6E,8E)-9-iodo-3,7-dimethylnona-2,4,6,8-tetraenoate
CID 15481027
ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate
CID 102415960
ethyl (2E,4Z)-5-iodo-3-methylpenta-2,4-dienoate
CID 134993976
ethyl (Z)-2-[(E)-2-trimethylsilylethenyl]pent-2-enoate
CID 146018217
ethyl (2E,4E)-2-(trimethylsilylmethyl)octa-2,4-dienoate
CID 11817670

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate?
The IUPAC name of 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate (CID 11056864) is 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate.
What is the SMILES notation for 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate?
The canonical SMILES for 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate is CC(/C=C/I)=C\C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate?
The InChIKey is AUJHWIWLTNBLED-QPHGKBKNSA-N. The full InChI is InChI=1S/C11H19IO2Si/c1-10(5-6-12)9-11(13)14-7-8-15(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+,10-9+.
What are the key properties of 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate?
2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate has a molecular weight of 338.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate is sourced from PubChem (CID 11056864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).