[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane

C21H23F3Si2 — CID 16664042

IUPAC[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane
SMILESC[Si](C)(C#C/C=C/[Si](C)(C)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3Si2/c1-25(2,19-10-6-5-7-11-19)16-8-9-17-26(3,4)20-14-12-18(13-15-20)21(22,23)24/h5-7,9-15,17H,1-4H3/b17-9+
InChIKeyBMENBUSTUKHDJP-RQZCQDPDSA-N
MW388.58 g/mol
LogP4.87
Rot. Bonds3

About [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane

[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane (PubChem CID 16664042) has the molecular formula C21H23F3Si2 and a molecular weight of 388.58 g/mol. Its IUPAC name is [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Name[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane
PubChem CID16664042
Molecular FormulaC21H23F3Si2
Molecular Weight388.58 g/mol
Exact Mass388.13
IUPAC Name[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane
SMILESC[Si](C)(C#C/C=C/[Si](C)(C)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3Si2/c1-25(2,19-10-6-5-7-11-19)16-8-9-17-26(3,4)20-14-12-18(13-15-20)21(22,23)24/h5-7,9-15,17H,1-4H3/b17-9+
InChIKeyBMENBUSTUKHDJP-RQZCQDPDSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane?
The IUPAC name of [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane (CID 16664042) is [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane is C[Si](C)(C#C/C=C/[Si](C)(C)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane?
The InChIKey is BMENBUSTUKHDJP-RQZCQDPDSA-N. The full InChI is InChI=1S/C21H23F3Si2/c1-25(2,19-10-6-5-7-11-19)16-8-9-17-26(3,4)20-14-12-18(13-15-20)21(22,23)24/h5-7,9-15,17H,1-4H3/b17-9+.
What are the key properties of [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane?
[(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane has a molecular weight of 388.58 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[dimethyl(phenyl)silyl]but-1-en-3-ynyl]-dimethyl-[4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 16664042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).