tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane

C16H30OSi — CID 53392206

IUPACtert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC(C)(C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-10-12-13-14(16(6,7)11-2)17-18(8,9)15(3,4)5/h2,10,14H,1,12-13H2,3-9H3/t14-/m0/s1
InChIKeyUFASEZOTPKZFOG-AWEZNQCLSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 53392206) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
PubChem CID53392206
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC(C)(C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-10-12-13-14(16(6,7)11-2)17-18(8,9)15(3,4)5/h2,10,14H,1,12-13H2,3-9H3/t14-/m0/s1
InChIKeyUFASEZOTPKZFOG-AWEZNQCLSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
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-dimethyl-[(4S,5S)-3,3,5-trimethyloct-1-en-6-yn-4-yl]oxysilane
CID 24179532
Tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 101111972
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-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
(3S,6R)-6-(Tert-butyldimethylsiloxy)-3-methylnonen-8-yne
CID 101618203
Tert-butyl-dimethyl-oct-1-en-7-yn-3-yloxysilane
CID 11128367
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane (CID 53392206) is tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane is C#CC(C)(C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is UFASEZOTPKZFOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-12-13-14(16(6,7)11-2)17-18(8,9)15(3,4)5/h2,10,14H,1,12-13H2,3-9H3/t14-/m0/s1.
What are the key properties of tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 53392206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).