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

C16H30OSi — CID 14911453

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

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

tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane (PubChem CID 14911453) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane
PubChem CID14911453
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane
SMILESC#CCCC(C)(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-10-11-12-16(7,13-14(2)3)17-18(8,9)15(4,5)6/h1,13H,11-12H2,2-9H3
InChIKeyXZCLFNQFRCHUFR-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
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-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane
CID 102275492
Tert-butyl-(3,5-dimethylhex-4-en-1-yn-3-yloxy)-dimethylsilane
CID 176423951
t-Butyl(1,5-dimethyl-1-vinylhex-4-enyloxy)dimethylsilane
CID 554425
tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 11710082
(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
CID 15237476
[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane
CID 87404967
3,7-Dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane
CID 87404968
trimethyl-[(E)-4-methyloct-5-en-1-yn-4-yl]oxysilane
CID 152780113
[(E,3S)-3,7-dimethylnon-6-en-1-yn-3-yl]oxy-triethylsilane
CID 173653291
[(5R)-1-ethynyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-dimethyl-prop-2-enylsilane
CID 12111976

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane (CID 14911453) is tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane is C#CCCC(C)(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane?
The InChIKey is XZCLFNQFRCHUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-11-12-16(7,13-14(2)3)17-18(8,9)15(4,5)6/h1,13H,11-12H2,2-9H3.
What are the key properties of tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane?
tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane is sourced from PubChem (CID 14911453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).