trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate

C13H26O3Si2 — CID 5366737

IUPACtrimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate
SMILESC=C(/C=C(\C)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h9H,2,10H2,1,3-8H3/b11-9+
InChIKeyWLHZEYWJZQRTDC-PKNBQFBNSA-N
MW286.52 g/mol
LogP4.07
Rot. Bonds6

About trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate

trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate (PubChem CID 5366737) has the molecular formula C13H26O3Si2 and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate
PubChem CID5366737
Molecular FormulaC13H26O3Si2
Molecular Weight286.52 g/mol
Exact Mass286.14
IUPAC Nametrimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate
SMILESC=C(/C=C(\C)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h9H,2,10H2,1,3-8H3/b11-9+
InChIKeyWLHZEYWJZQRTDC-PKNBQFBNSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate?
The IUPAC name of trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate (CID 5366737) is trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate.
What is the SMILES notation for trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate?
The canonical SMILES for trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate is C=C(/C=C(\C)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate?
The InChIKey is WLHZEYWJZQRTDC-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h9H,2,10H2,1,3-8H3/b11-9+.
What are the key properties of trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate?
trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate has a molecular weight of 286.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (3E)-3-methyl-5-trimethylsilyloxyhexa-3,5-dienoate is sourced from PubChem (CID 5366737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).