tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane

C23H28OSi — CID 11110861

IUPACtert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
SMILESC#Cc1ccccc1/C=C\c1ccccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H28OSi/c1-7-19-12-8-9-13-20(19)16-17-21-14-10-11-15-22(21)18-24-25(5,6)23(2,3)4/h1,8-17H,18H2,2-6H3/b17-16-
InChIKeyFHRAGVYMIPOHKG-MSUUIHNZSA-N
MW348.56 g/mol
LogP6.36
Rot. Bonds5

About tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane (PubChem CID 11110861) has the molecular formula C23H28OSi and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
PubChem CID11110861
Molecular FormulaC23H28OSi
Molecular Weight348.56 g/mol
Exact Mass348.19
IUPAC Nametert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
SMILESC#Cc1ccccc1/C=C\c1ccccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H28OSi/c1-7-19-12-8-9-13-20(19)16-17-21-14-10-11-15-22(21)18-24-25(5,6)23(2,3)4/h1,8-17H,18H2,2-6H3/b17-16-
InChIKeyFHRAGVYMIPOHKG-MSUUIHNZSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
CID 22559339
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate
CID 168825886
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
[(1E,3E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15925212
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane
CID 10336521
tert-butyl-dimethyl-[[2-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]silane
CID 86690744
2-(2-ethynylphenyl)ethyl-[2-(2-ethynylphenyl)ethyl-dimethylsilyl]oxy-dimethylsilane
CID 139701838

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane (CID 11110861) is tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane is C#Cc1ccccc1/C=C\c1ccccc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is FHRAGVYMIPOHKG-MSUUIHNZSA-N. The full InChI is InChI=1S/C23H28OSi/c1-7-19-12-8-9-13-20(19)16-17-21-14-10-11-15-22(21)18-24-25(5,6)23(2,3)4/h1,8-17H,18H2,2-6H3/b17-16-.
What are the key properties of tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 11110861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).