[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane

C16H32O3Si2 — CID 134880236

IUPAC[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane
SMILESC=CCC/C=C(\C=C(\OCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H32O3Si2/c1-9-11-12-13-15(18-20(3,4)5)14-16(17-10-2)19-21(6,7)8/h9,13-14H,1,10-12H2,2-8H3/b15-13+,16-14-
InChIKeyPSTZUGLEOXTBMH-ZNOBWPMYSA-N
MW328.60 g/mol
LogP5.42
Rot. Bonds10

About [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane

[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane (PubChem CID 134880236) has the molecular formula C16H32O3Si2 and a molecular weight of 328.60 g/mol. Its IUPAC name is [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane
PubChem CID134880236
Molecular FormulaC16H32O3Si2
Molecular Weight328.60 g/mol
Exact Mass328.19
IUPAC Name[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane
SMILESC=CCC/C=C(\C=C(\OCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H32O3Si2/c1-9-11-12-13-15(18-20(3,4)5)14-16(17-10-2)19-21(6,7)8/h9,13-14H,1,10-12H2,2-8H3/b15-13+,16-14-
InChIKeyPSTZUGLEOXTBMH-ZNOBWPMYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane?
The IUPAC name of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane (CID 134880236) is [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane?
The canonical SMILES for [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane is C=CCC/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-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane?
The InChIKey is PSTZUGLEOXTBMH-ZNOBWPMYSA-N. The full InChI is InChI=1S/C16H32O3Si2/c1-9-11-12-13-15(18-20(3,4)5)14-16(17-10-2)19-21(6,7)8/h9,13-14H,1,10-12H2,2-8H3/b15-13+,16-14-.
What are the key properties of [(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane?
[(1Z,3E)-1-ethoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane has a molecular weight of 328.60 g/mol, XLogP of 5.42, 10 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-trimethylsilyloxyocta-1,3,7-trienoxy]-trimethylsilane is sourced from PubChem (CID 134880236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).