tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane

C22H26Si — CID 102080744

IUPACtert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26Si/c1-22(2,3)23(4,5)17-16-21(20-14-10-7-11-15-20)18-19-12-8-6-9-13-19/h6-15,18H,1-5H3/b21-18-
InChIKeyBANUHLKPSHGTPH-UZYVYHOESA-N
MW318.54 g/mol
LogP6.28
Rot. Bonds2

About tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane

tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane (PubChem CID 102080744) has the molecular formula C22H26Si and a molecular weight of 318.54 g/mol. Its IUPAC name is tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
PubChem CID102080744
Molecular FormulaC22H26Si
Molecular Weight318.54 g/mol
Exact Mass318.18
IUPAC Nametert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26Si/c1-22(2,3)23(4,5)17-16-21(20-14-10-7-11-15-20)18-19-12-8-6-9-13-19/h6-15,18H,1-5H3/b21-18-
InChIKeyBANUHLKPSHGTPH-UZYVYHOESA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane
CID 102296201
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
CID 16756347
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
CID 101468566
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
CID 134940588
(1E,4Z)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
CID 101446464
(Z)-2-methyl-6-phenyl-5-trimethylsilylhex-5-en-3-yn-2-ol
CID 56840260
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane (CID 102080744) is tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane?
The InChIKey is BANUHLKPSHGTPH-UZYVYHOESA-N. The full InChI is InChI=1S/C22H26Si/c1-22(2,3)23(4,5)17-16-21(20-14-10-7-11-15-20)18-19-12-8-6-9-13-19/h6-15,18H,1-5H3/b21-18-.
What are the key properties of tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane?
tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane has a molecular weight of 318.54 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane is sourced from PubChem (CID 102080744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).