dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane

C21H23F3OSi — CID 166446674

IUPACdimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane
SMILESC[Si](C)(OC1(C(F)(F)F)C=C1CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23F3OSi/c1-26(2,19-14-7-4-8-15-19)25-20(21(22,23)24)16-18(20)13-9-12-17-10-5-3-6-11-17/h3-8,10-11,14-16H,9,12-13H2,1-2H3
InChIKeyBUFPEDGUBCRWPS-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.38
Rot. Bonds7

About dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane

dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane (PubChem CID 166446674) has the molecular formula C21H23F3OSi and a molecular weight of 376.49 g/mol. Its IUPAC name is dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane
PubChem CID166446674
Molecular FormulaC21H23F3OSi
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Namedimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane
SMILESC[Si](C)(OC1(C(F)(F)F)C=C1CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23F3OSi/c1-26(2,19-14-7-4-8-15-19)25-20(21(22,23)24)16-18(20)13-9-12-17-10-5-3-6-11-17/h3-8,10-11,14-16H,9,12-13H2,1-2H3
InChIKeyBUFPEDGUBCRWPS-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane?
The IUPAC name of dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane (CID 166446674) is dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane.
What is the SMILES notation for dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane?
The canonical SMILES for dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane is C[Si](C)(OC1(C(F)(F)F)C=C1CCCc1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane?
The InChIKey is BUFPEDGUBCRWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3OSi/c1-26(2,19-14-7-4-8-15-19)25-20(21(22,23)24)16-18(20)13-9-12-17-10-5-3-6-11-17/h3-8,10-11,14-16H,9,12-13H2,1-2H3.
What are the key properties of dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane?
dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane has a molecular weight of 376.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[2-(3-phenylpropyl)-1-(trifluoromethyl)cycloprop-2-en-1-yl]oxysilane is sourced from PubChem (CID 166446674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).