tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane

C15H28OSi — CID 101111972

IUPACtert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
SMILESC#CCC(C)(C)C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-10-12-15(6,7)13(11-2)16-17(8,9)14(3,4)5/h1,11,13H,2,12H2,3-9H3
InChIKeyZHSWZRNDWOASOJ-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane

tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane (PubChem CID 101111972) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
PubChem CID101111972
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
SMILESC#CCC(C)(C)C(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-10-12-15(6,7)13(11-2)16-17(8,9)14(3,4)5/h1,11,13H,2,12H2,3-9H3
InChIKeyZHSWZRNDWOASOJ-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.61
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-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
Tert-butyl-(4,4-dimethylhept-6-en-1-yn-3-yloxy)-dimethylsilane
CID 10944928
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
Tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 53392206
Tert-butyl-(4,4-dimethyl-1-trimethylgermylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 102240613
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
tert-butyl-dimethyl-[(3S)-non-1-en-7-yn-3-yl]oxysilane
CID 10658497
Tert-butyl-dimethyl-oct-1-en-7-yn-3-yloxysilane
CID 11128367
tert-butyl-dimethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane
CID 11533968
tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane
CID 11663878

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane (CID 101111972) is tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane is C#CCC(C)(C)C(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The InChIKey is ZHSWZRNDWOASOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-10-12-15(6,7)13(11-2)16-17(8,9)14(3,4)5/h1,11,13H,2,12H2,3-9H3.
What are the key properties of tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane is sourced from PubChem (CID 101111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).