tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane

C17H32OSi — CID 24853770

IUPACtert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#CC
InChIInChI=1S/C17H32OSi/c1-10-12-14-17(6,7)15(13-11-2)18-19(8,9)16(3,4)5/h11,15H,2,13-14H2,1,3-9H3
InChIKeyPRNDWVFVNBFOAT-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane

tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane (PubChem CID 24853770) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane
PubChem CID24853770
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#CC
InChIInChI=1S/C17H32OSi/c1-10-12-14-17(6,7)15(13-11-2)18-19(8,9)16(3,4)5/h11,15H,2,13-14H2,1,3-9H3
InChIKeyPRNDWVFVNBFOAT-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
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-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane (CID 24853770) is tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane is C=CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC#CC.
What is the InChIKey of tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane?
The InChIKey is PRNDWVFVNBFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-10-12-14-17(6,7)15(13-11-2)18-19(8,9)16(3,4)5/h11,15H,2,13-14H2,1,3-9H3.
What are the key properties of tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane?
tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-dimethylnon-1-en-7-yn-4-yloxy)-dimethylsilane is sourced from PubChem (CID 24853770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).