trimethylsilyl (2E,4E)-hexa-2,4-dienoate

C9H16O2Si — CID 5374175

IUPACtrimethylsilyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyJJUBCHFIUJTWQH-BSWSSELBSA-N
MW184.31 g/mol
LogP2.50
Rot. Bonds3

About trimethylsilyl (2E,4E)-hexa-2,4-dienoate

trimethylsilyl (2E,4E)-hexa-2,4-dienoate (PubChem CID 5374175) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is trimethylsilyl (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (2E,4E)-hexa-2,4-dienoate
PubChem CID5374175
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Nametrimethylsilyl (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyJJUBCHFIUJTWQH-BSWSSELBSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of trimethylsilyl (2E,4E)-hexa-2,4-dienoate (CID 5374175) is trimethylsilyl (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for trimethylsilyl (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for trimethylsilyl (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2E,4E)-hexa-2,4-dienoate?
The InChIKey is JJUBCHFIUJTWQH-BSWSSELBSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H,1-4H3/b6-5+,8-7+.
What are the key properties of trimethylsilyl (2E,4E)-hexa-2,4-dienoate?
trimethylsilyl (2E,4E)-hexa-2,4-dienoate has a molecular weight of 184.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 5374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).