tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane

C18H36OSi2 — CID 14918716

IUPACtert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
SMILESC/C=C/C(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,14,16H,1-11H3/b14-12+
InChIKeyBAXSURRTJJCDFC-WYMLVPIESA-N
MW324.66 g/mol
LogP5.86
Rot. Bonds4

About tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 14918716) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
PubChem CID14918716
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
SMILESC/C=C/C(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,14,16H,1-11H3/b14-12+
InChIKeyBAXSURRTJJCDFC-WYMLVPIESA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.66
LogP ≤ 55.86
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
tert-butyl-[(E)-5,5-dimethyloct-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 44195394
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464
triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane
CID 134945499
tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 138964883
tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane
CID 138982915
tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 54417522

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane (CID 14918716) is tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane is C/C=C/C(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is BAXSURRTJJCDFC-WYMLVPIESA-N. The full InChI is InChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,14,16H,1-11H3/b14-12+.
What are the key properties of tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 324.66 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 14918716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).