tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane

C17H28OSi — CID 15247298

IUPACtert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane
SMILESC#CCCC(C#C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h1,3,10H,2,12-15H2,4-8H3
InChIKeyPZNCHSCGBWCYRU-UHFFFAOYSA-N
MW276.50 g/mol
LogP4.76
Rot. Bonds7

About tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane

tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane (PubChem CID 15247298) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane
PubChem CID15247298
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane
SMILESC#CCCC(C#C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h1,3,10H,2,12-15H2,4-8H3
InChIKeyPZNCHSCGBWCYRU-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane (CID 15247298) is tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane is C#CCCC(C#C)(CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane?
The InChIKey is PZNCHSCGBWCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h1,3,10H,2,12-15H2,4-8H3.
What are the key properties of tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane?
tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-ethynylnon-1-en-8-yn-5-yloxy)-dimethylsilane is sourced from PubChem (CID 15247298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).