tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane

C16H30OSi — CID 15317059

IUPACtert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
SMILESC=CCC(C)(C)C(C#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-10-12-14(16(6,7)13-11-2)17-18(8,9)15(3,4)5/h11,14H,2,13H2,1,3-9H3
InChIKeyYKEXFUFKBCLZGY-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane

tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane (PubChem CID 15317059) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
PubChem CID15317059
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
SMILESC=CCC(C)(C)C(C#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-10-12-14(16(6,7)13-11-2)17-18(8,9)15(3,4)5/h11,14H,2,13H2,1,3-9H3
InChIKeyYKEXFUFKBCLZGY-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

tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
CID 10837963
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
CID 101168213
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine
CID 11796022
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane (CID 15317059) is tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane is C=CCC(C)(C)C(C#CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane?
The InChIKey is YKEXFUFKBCLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-12-14(16(6,7)13-11-2)17-18(8,9)15(3,4)5/h11,14H,2,13H2,1,3-9H3.
What are the key properties of tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane?
tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane 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-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane is sourced from PubChem (CID 15317059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).