trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane

C8H13F3OSi — CID 15192351

IUPACtrimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane
SMILESC=C(/C=C/O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3OSi/c1-7(8(9,10)11)5-6-12-13(2,3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyWEBKWQGJSRAVOE-AATRIKPKSA-N
MW210.27 g/mol
LogP3.47
Rot. Bonds3

About trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane

trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane (PubChem CID 15192351) has the molecular formula C8H13F3OSi and a molecular weight of 210.27 g/mol. Its IUPAC name is trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane
PubChem CID15192351
Molecular FormulaC8H13F3OSi
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Nametrimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane
SMILESC=C(/C=C/O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3OSi/c1-7(8(9,10)11)5-6-12-13(2,3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyWEBKWQGJSRAVOE-AATRIKPKSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Trimethyl-((1E)-2-methylbuta-1,3-dienoxy)silane
CID 3037370
InChI=1/C8H16OSi/c1-8(2)6-7-9-10(3,4)5/h6-7H,1H2,2-5H3/b7-6
CID 5324020
[(1Z)-2-fluoro-3-methylbuta-1,3-dienoxy]-trimethylsilane
CID 15186767
2-Methyl-1-trimethylsilyloxy-1,3-butadiene
CID 179101
trimethyl-[(1Z)-2-methylbuta-1,3-dienoxy]silane
CID 18541573
1-Trimethylsilyloxy-3-methyl-1,3-butadiene
CID 54338254
(But-3-en-1-yl)(dimethyl)(2,2,2-trifluoroethoxy)silane
CID 14993009
But-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane
CID 161266892

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane?
The IUPAC name of trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane (CID 15192351) is trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane?
The canonical SMILES for trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane is C=C(/C=C/O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane?
The InChIKey is WEBKWQGJSRAVOE-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13F3OSi/c1-7(8(9,10)11)5-6-12-13(2,3)4/h5-6H,1H2,2-4H3/b6-5+.
What are the key properties of trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane?
trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane has a molecular weight of 210.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-3-(trifluoromethyl)buta-1,3-dienoxy]silane is sourced from PubChem (CID 15192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).