[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane

C15H30O3Si2 — CID 11290005

IUPAC[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
SMILESC=CC/C=C(\C=C(\OCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si2/c1-9-11-12-14(17-19(3,4)5)13-15(16-10-2)18-20(6,7)8/h9,12-13H,1,10-11H2,2-8H3/b14-12+,15-13-
InChIKeyYGRLWVJNBUSYIJ-GQJHWZHGSA-N
MW314.57 g/mol
LogP5.03
Rot. Bonds9

About [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane

[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane (PubChem CID 11290005) has the molecular formula C15H30O3Si2 and a molecular weight of 314.57 g/mol. Its IUPAC name is [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
PubChem CID11290005
Molecular FormulaC15H30O3Si2
Molecular Weight314.57 g/mol
Exact Mass314.17
IUPAC Name[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
SMILESC=CC/C=C(\C=C(\OCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si2/c1-9-11-12-14(17-19(3,4)5)13-15(16-10-2)18-20(6,7)8/h9,12-13H,1,10-11H2,2-8H3/b14-12+,15-13-
InChIKeyYGRLWVJNBUSYIJ-GQJHWZHGSA-N
XLogP5.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.57
LogP ≤ 55.03
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The IUPAC name of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane (CID 11290005) is [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The canonical SMILES for [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane is C=CC/C=C(\C=C(\OCC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The InChIKey is YGRLWVJNBUSYIJ-GQJHWZHGSA-N. The full InChI is InChI=1S/C15H30O3Si2/c1-9-11-12-14(17-19(3,4)5)13-15(16-10-2)18-20(6,7)8/h9,12-13H,1,10-11H2,2-8H3/b14-12+,15-13-.
What are the key properties of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane has a molecular weight of 314.57 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane is sourced from PubChem (CID 11290005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).