tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane

C17H32OSi — CID 11000465

IUPACtert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C17H32OSi/c1-11-12-15(17(7,8)13-14(2)3)18-19(9,10)16(4,5)6/h1,15H,2,12-13H2,3-10H3
InChIKeyDDBYUPYWWQRXSM-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane

tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane (PubChem CID 11000465) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
PubChem CID11000465
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C17H32OSi/c1-11-12-15(17(7,8)13-14(2)3)18-19(9,10)16(4,5)6/h1,15H,2,12-13H2,3-10H3
InChIKeyDDBYUPYWWQRXSM-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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Related Compounds

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
tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672913
tert-butyl-[(3S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672914
tert-butyl-[(3S,5R)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
CID 15672915
[(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
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 157359661

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane (CID 11000465) is tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane is C#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C.
What is the InChIKey of tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane?
The InChIKey is DDBYUPYWWQRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-11-12-15(17(7,8)13-14(2)3)18-19(9,10)16(4,5)6/h1,15H,2,12-13H2,3-10H3.
What are the key properties of tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane?
tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane 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-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane is sourced from PubChem (CID 11000465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).