tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane

C18H26OSi — CID 102296201

IUPACtert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane
SMILESCOC/C=C(/C#C[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H26OSi/c1-18(2,3)20(5,6)15-13-17(12-14-19-4)16-10-8-7-9-11-16/h7-12H,14H2,1-6H3/b17-12-
InChIKeySGQBXYIZOJIRDN-ATVHPVEESA-N
MW286.49 g/mol
LogP4.77
Rot. Bonds3

About tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane

tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane (PubChem CID 102296201) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane
PubChem CID102296201
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Nametert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane
SMILESCOC/C=C(/C#C[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H26OSi/c1-18(2,3)20(5,6)15-13-17(12-14-19-4)16-10-8-7-9-11-16/h7-12H,14H2,1-6H3/b17-12-
InChIKeySGQBXYIZOJIRDN-ATVHPVEESA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
(E)-4-(methoxymethoxy)-2-phenylbut-2-enenitrile
CID 14221080
N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
CID 101468566
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
CID 16756347
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
CID 101458062
ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
CID 87997933
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
CID 12968057

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane (CID 102296201) is tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane is COC/C=C(/C#C[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane?
The InChIKey is SGQBXYIZOJIRDN-ATVHPVEESA-N. The full InChI is InChI=1S/C18H26OSi/c1-18(2,3)20(5,6)15-13-17(12-14-19-4)16-10-8-7-9-11-16/h7-12H,14H2,1-6H3/b17-12-.
What are the key properties of tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane?
tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-methoxy-3-phenylpent-3-en-1-ynyl]-dimethylsilane is sourced from PubChem (CID 102296201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).