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

C14H28O3Si2 — CID 102297754

IUPAC[(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
SMILESC=CC/C=C(/C=C(\OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-9-10-11-13(16-18(3,4)5)12-14(15-2)17-19(6,7)8/h9,11-12H,1,10H2,2-8H3/b13-11-,14-12+
InChIKeyBBHOYFYQYQJYQR-HEEUSZRZSA-N
MW300.55 g/mol
LogP4.64
Rot. Bonds8

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

[(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane (PubChem CID 102297754) has the molecular formula C14H28O3Si2 and a molecular weight of 300.55 g/mol. Its IUPAC name is [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
PubChem CID102297754
Molecular FormulaC14H28O3Si2
Molecular Weight300.55 g/mol
Exact Mass300.16
IUPAC Name[(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane
SMILESC=CC/C=C(/C=C(\OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si2/c1-9-10-11-13(16-18(3,4)5)12-14(15-2)17-19(6,7)8/h9,11-12H,1,10H2,2-8H3/b13-11-,14-12+
InChIKeyBBHOYFYQYQJYQR-HEEUSZRZSA-N
XLogP4.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 54.64
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 [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The IUPAC name of [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane (CID 102297754) is [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane.
What is the SMILES notation for [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The canonical SMILES for [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane is C=CC/C=C(/C=C(\OC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
The InChIKey is BBHOYFYQYQJYQR-HEEUSZRZSA-N. The full InChI is InChI=1S/C14H28O3Si2/c1-9-10-11-13(16-18(3,4)5)12-14(15-2)17-19(6,7)8/h9,11-12H,1,10H2,2-8H3/b13-11-,14-12+.
What are the key properties of [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane?
[(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane has a molecular weight of 300.55 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-1-methoxy-3-trimethylsilyloxyhepta-1,3,6-trienoxy]-trimethylsilane is sourced from PubChem (CID 102297754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).