tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane

C16H30OSi — CID 11108315

IUPACtert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C16H30OSi/c1-11-14(16(7,8)12-13(2)3)17-18(9,10)15(4,5)6/h1,14H,2,12H2,3-10H3
InChIKeyZOQHPHXUVOPVHT-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane

tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane (PubChem CID 11108315) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
PubChem CID11108315
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C16H30OSi/c1-11-14(16(7,8)12-13(2)3)17-18(9,10)15(4,5)6/h1,14H,2,12H2,3-10H3
InChIKeyZOQHPHXUVOPVHT-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
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

2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
5-Diisopropylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 6327734
Tert-butyl-(4,4-dimethylhept-6-en-1-yn-3-yloxy)-dimethylsilane
CID 10944928
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-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
CID 101400084
Tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 101400086
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
(5R)-5-(Tert-butyldimethylsiloxy)-2-methyl-1-octen-7-yne
CID 101618195
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 58420717

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane (CID 11108315) is tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane is C#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C.
What is the InChIKey of tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane?
The InChIKey is ZOQHPHXUVOPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-11-14(16(7,8)12-13(2)3)17-18(9,10)15(4,5)6/h1,14H,2,12H2,3-10H3.
What are the key properties of tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane?
tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane is sourced from PubChem (CID 11108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).