[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

C12H25FO3Si2 — CID 46184501

IUPAC[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(F)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25FO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+
InChIKeyRGUVYVQXRDFAKF-VAWYXSNFSA-N
MW292.50 g/mol
LogP4.38
Rot. Bonds7

About [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 46184501) has the molecular formula C12H25FO3Si2 and a molecular weight of 292.50 g/mol. Its IUPAC name is [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID46184501
Molecular FormulaC12H25FO3Si2
Molecular Weight292.50 g/mol
Exact Mass292.13
IUPAC Name[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(F)=C(/OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25FO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+
InChIKeyRGUVYVQXRDFAKF-VAWYXSNFSA-N
XLogP4.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.38
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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Related Compounds

(1-Ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
CID 75165877
[(1E)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11196611
[(1Z)-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11380327
[(1E,3Z)-1,4-dimethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 101032161
Trimethyl-(3,3,3-trifluoro-1-propan-2-yloxy-2-trimethylsilyloxyprop-1-enoxy)silane
CID 140057088
(1-Butan-2-yloxy-3,3,3-trifluoro-2-trimethylsilyloxyprop-1-enoxy)-trimethylsilane
CID 140057089
(1-Butoxy-3,3,3-trifluoro-2-trimethylsilyloxyprop-1-enoxy)-trimethylsilane
CID 140057092
[(1Z,3E)-1,4-dimethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11185391
[(1Z,3Z)-1,4-dimethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 11962014
[(1E)-2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 25034386
(1-Ethoxy-3-trimethylsilyloxypenta-1,3-dienoxy)-trimethylsilane
CID 73001490
[(1Z,3Z)-1-ethoxy-3-trimethylsilyloxypenta-1,3-dienoxy]-trimethylsilane
CID 101426646

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 46184501) is [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is C=C(O[Si](C)(C)C)/C(F)=C(/OCC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is RGUVYVQXRDFAKF-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25FO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3/b12-11+.
What are the key properties of [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 292.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 46184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).